SCHEMBL28908259

SCHEMBL28908259

CC(O)C(O)OCCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HRH3 Q9Y5N1 4/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.43
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9917383 0.82 HRH3 (0.51) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL23480661 0.79 HRH3 (0.49) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL21093848 0.79 HRH3 (0.49) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL24728751 0.79 HRH3 (0.49) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL21733612 0.78 ALDH1A1 (0.51) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL10100370 0.77 ALDH1A1 (0.51) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL24084211 0.77 ALDH1A1 (0.46) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL26581778 0.77 HRH3 (0.46) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL20328708 0.77 MAPK1 (0.46) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL21118910 0.76 ALDH1A1 (0.53) ALDH1A1HRH3MAPK1CYP1A2CHRM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067433-A1 COMPOUND TARGETING INTEGRIN AND USE THEREOF IN RNAI AGENT 云合智药(苏州)生物科技有限公司 2025-04-03 WO disclosed
WO-2025040139-A1 RNAI AGENT FOR INHIBITING DIACYLGLYCEROL-O-ACYLTRANSFERASE 2 EXPRESSION, AND APPLICATION THEREOF 云合智药(苏州)生物科技有限公司 2025-02-27 WO disclosed
WO-2025016294-A1 RNAI AGENT FOR INHIBITING EXPRESSION OF KETOHEXOKINASE AND USE THEREOF 云合智药(苏州)生物科技有限公司 2025-01-23 WO disclosed
CN-118804921-A Conjugate, ligand unit and use thereof 云合智药(苏州)生物科技有限公司 2024-10-18 CN disclosed
CN-118667811-A Ketohexokinase (KHK) iRNA compositions and methods of use thereof 阿尔尼拉姆医药品有限公司 2024-09-20 CN disclosed
WO-2024152775-A1 CONJUGATE, LIGAND UNIT AND USE THEREOF 云合智药(苏州)生物科技有限公司 2024-07-25 WO disclosed
CN-112424355-A Ketohexokinase (KHK) iRNA compositions and methods of use thereof 阿尔尼拉姆医药品有限公司 2021-02-26 CN disclosed