SCHEMBL22400

SCHEMBL22400

CC(=O)OCc1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 2/20 0.36
IDH1 O75874 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC18A3 Q16572 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
G6PD P11413 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10352518 0.83 TSHR (0.37) ALDH1A1CYP3A4TSHRKDM4EMAPT
SCHEMBL5776915 0.82 RAD52 (0.43) ALDH1A1CYP1A2SMN1; SMN2CYP3A4SLC18A3
SCHEMBL9401129 0.81 SMN1; SMN2 (0.41) ALDH1A1CYP1A2CYP2C19HSD17B10SMN1; SMN2
SCHEMBL6615188 0.81 TOP2A (0.40) ALDH1A1CYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL25743 0.79 TDP1 (0.58) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL23850230 0.78 HCAR2 (0.41) ALDH1A1LMNAMAPT
SCHEMBL10353337 0.77 THRB (0.45) ALDH1A1HSD17B10SMN1; SMN2CYP3A4LMNA
SCHEMBL7845794 0.77 L3MBTL1 (0.49) ALDH1A1HSD17B10SMN1; SMN2LMNATSHR
SCHEMBL19212286 0.76 HPGD (0.40) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6426083 0.75 ALDH1A1 (0.39) ALDH1A1HSD17B10SMN1; SMN2CYP3A4SLC18A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
CN-103180317-B Heteroarylpiperidine and piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-23 CN claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
EP-0122321-B1 HYDROXYBENZYLAMINO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS MERCK & CO. INC. (US) 1988-08-03 EP claimed
US-20240158547-A1 COMPOSITION AND POLYMER TOKYO OHKA KOGYO CO., LTD. (JP) 2024-05-16 US disclosed
US-11578230-B2 Composition, polymer, and method of producing substrate JSR CORPORATION (JP) 2023-02-14 US disclosed
US-11460767-B2 Composition for film formation, film-forming method and directed self-assembly lithography process JSR CORPORATION (JP) 2022-10-04 US disclosed
US-20220259741-A1 COMPOSITION, METHOD OF PRODUCING SUBSTRATE, AND POLYMER JSR CORPORATION (JP) 2022-08-18 US disclosed
US-20220089809-A1 COMPOSITION, METHOD OF PRODUCING SUBSTRATE, AND POLYMER JSR CORPORATION (JP) 2022-03-24 US disclosed
US-20210189553-A1 COMPOSITION, POLYMER, AND METHOD OF PRODUCING SUBSTRATE JSR CORPORATION (JP) 2021-06-24 US disclosed
WO-2021095766-A1 COMPOSITION, PRODUCTION METHOD FOR SUBSTRATE, AND POLYMER JSR株式会社 2021-05-20 WO disclosed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
US-5932675-A Free-radical chain transfer polymerization process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-08-03 US disclosed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US disclosed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 EP disclosed
US-5385996-A Control of molecular weight and end-group functionality of polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-01-31 US disclosed
EP-0333758-A4 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1990-05-14 EP disclosed
EP-0333758-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1989-09-27 EP disclosed
EP-0122321-B1 HYDROXYBENZYLAMINO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS MERCK & CO. INC. (US) 1988-08-03 EP disclosed
WO-1988004304-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1988-06-16 WO disclosed