SCHEMBL4226867

SCHEMBL4226867

CC(C)=CCCC(C)CCC(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
TBXAS1 P24557 2/20 0.38

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
SCHEMBL30372415 0.81 ALOX15 (0.52) ALOX15ALDH1A1CYP2C19ATMTDP1
SCHEMBL28337544 0.78 CYP2C19 (0.47) ALDH1A1CYP2C19PTGS1
SCHEMBL31438935 0.77 TSHR (0.47) ALDH1A1CYP2C19TSHR
SCHEMBL30371912 0.77 CYP2C19 (0.61) ALDH1A1CYP2C19TBXAS1
SCHEMBL21798435 0.76 ATM (0.45) ALOX15ALDH1A1ATMTDP1L3MBTL1
SCHEMBL21798451 0.76 ATM (0.45) ALOX15ALDH1A1ATMTDP1L3MBTL1
SCHEMBL21798440 0.76 ATM (0.45) ALOX15ALDH1A1ATMTDP1L3MBTL1
SCHEMBL21798456 0.76 ATM (0.45) ALOX15ALDH1A1ATMTDP1L3MBTL1
SCHEMBL6236869 0.76 CYP2D6 (0.48) ALOX15ALDH1A1ATMTDP1L3MBTL1
SCHEMBL585345 0.76 ALOX15 (0.59) ALOX15ALDH1A1TDP1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689849-B1 PERFUME PRECURSOR TAKASAGO PERFUMERY CO LTD (JP) 2025-01-15 EP claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed