SCHEMBL9764581

SCHEMBL9764581

CCOC(=O)CC(O)CCCCCCCCC(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.41
F10 P00742 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP8 P22894 1/20 0.40
GPR84 Q9NQS5 4/20 0.40

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
SCHEMBL5828002 0.83 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EF2NPC1
SCHEMBL9764628 0.82 TRPA1 (0.62) F2TRPA1F10
SCHEMBL7708867 0.81 CYP3A4 (0.53) ALDH1A1TSHRKDM4ENPC1HPGD
SCHEMBL23027267 0.81 LTB4R (0.54) ALDH1A1TSHRKDM4EF2NPC1
SCHEMBL563306 0.81 LTB4R (0.54) ALDH1A1TSHRKDM4EF2NPC1
SCHEMBL13572924 0.81 LTB4R (0.54) ALDH1A1TSHRKDM4EF2NPC1
SCHEMBL14462418 0.79 RIPK1 (0.50) KDM4ETRPA1
SCHEMBL29069352 0.78 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ENPC1HPGD
SCHEMBL10368115 0.78 ALDH1A1 (0.44) ALDH1A1TSHRKDM4ENPC1HPGD
SCHEMBL22677576 0.78 GPR84 (0.46) FAAHALDH1A1KMT2ATRPA1GPR84

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
US-5041694-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1991-08-20 US claimed
US-5041694-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1991-08-20 US disclosed
US-4965373-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1990-10-23 US disclosed
US-4895973-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & COMPANY (US) 1990-01-23 US disclosed
EP-0194610-B1 SUBSTITUTED GLUTARIC ACID LACTONES IN THE TREATMENT OF HYPERLIPIDEMIA G.D. Searle & Co. (US) 1989-02-22 EP disclosed
US-4622338-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1986-11-11 US disclosed
EP-0194610-A1 Substituted glutaric acid lactones in the treatment of hyperlipidemia G.D. Searle & Co. (US) 1986-09-17 EP disclosed