SCHEMBL8425468

SCHEMBL8425468

CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1CSc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 1/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ STS P08842 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ AHCY P23526 3/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ HSD11B2 P80365 1/20 0.37
▸ LTA4H P09960 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
SCHEMBL4310678 0.79 FFAR1 (0.46) GHSRALDH1A1TSHRLMNAMAPT
SCHEMBL4310672 0.79 FFAR1 (0.46) GHSRALDH1A1TSHRLMNAMAPT
SCHEMBL8425464 0.72 S1PR5 (0.44) S1PR5ALDH1A1TSHRLMNAMEN1
SCHEMBL4324159 0.72 LTA4H (0.58) ALOX5APALDH1A1FFAR1LTA4H
SCHEMBL990496 0.72 LTA4H (0.58) ALOX5APALDH1A1FFAR1LTA4H
SCHEMBL4319104 0.72 LTA4H (0.58) ALOX5APALDH1A1FFAR1LTA4H
SCHEMBL5180568 0.72 KDM1A (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL24047701 0.72 HSD17B10 (0.50) HSD17B10ALDH1A1
SCHEMBL1439128 0.72 HSD17B10 (0.50) HSD17B10ALDH1A1
SCHEMBL26430589 0.72 HSD17B10 (0.50) HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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