SCHEMBL9017397

SCHEMBL9017397

CC1COC(=O)c2ccc(cc2)C(=O)O1.O=C(O)c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
LTB4R Q15722 1/20 0.40
MYC P01106 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 7/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
HNF4A P41235 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL66015 0.82 MAOA (0.37) KDM4EPOLBMAPT
SCHEMBL9017382 0.81 RXRA (0.40) POLBTDP1
SCHEMBL4168935 0.80 GRM2 (0.37) KMT2A
Succinic Acid SCHEMBL1325312 0.80 HTT (0.40) RAB9AKDM4EALDH1A1TSHRMAPT
SCHEMBL8436053 0.79 CYP3A4 (0.46) L3MBTL1MYCGAAKMT2ANPC1
Ethylene SCHEMBL11664467 0.78 MAOA (0.35) KDM4EPOLBMAPT
Adipic Acid SCHEMBL1326117 0.77 HTT (0.38) KDM4EMAPK1MAPTLMNATDP1
Phthalic Acid SCHEMBL29067259 0.76 ALDH1A1 (0.47) L3MBTL1MYCGAAKMT2ANPC1
Sebacic Acid SCHEMBL1325801 0.76 NAAA (0.39) LTB4RALDH1A1MAPTLMNA
SCHEMBL9722584 0.73 MAOA (0.41) KMT2APOLBALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674587-A4 IMPROVED BIAXIALLY ORIENTED COPOLYESTER FILM FOR MAGNETIC RECORDING MEDIA. HOECHST AG (DE) 1996-02-28 EP claimed
EP-0674587-A1 IMPROVED BIAXIALLY ORIENTED COPOLYESTER FILM FOR MAGNETIC RECORDING MEDIA HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-04 EP claimed
WO-1994013483-A1 IMPROVED BIAXIALLY ORIENTED COPOLYESTER FILM FOR MAGNETIC RECORDING MEDIA HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-23 WO claimed