SCHEMBL10767994

SCHEMBL10767994

CCCCCCCCCCCCC/C=C1\CC[C@@H](CCC(=O)O)[C@H](O)[C@H]1SCC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ EPHX2 P34913 6/20 0.32
▸ TERT O14746 3/20 0.32
▸ PTPN1 P18031 3/20 0.32
▸ PPARG P37231 3/20 0.32
▸ PPARD Q03181 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ FABP4 P15090 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL10765459 1.00 ALOX5 (0.33) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10916091 1.00 ALOX5 (0.33) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10359551 0.95 ALOX5 (0.39) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10914511 0.95 ALOX5 (0.39) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10359581 0.95 ALOX5 (0.39) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10914507 0.95 ALOX5 (0.39) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10359592 0.91 EPHX2 (0.34) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10359333 0.91 EPHX2 (0.34) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10359750 0.91 EPHX2 (0.34) ALOX5EPHX2TERTPTPN1PPARG
SCHEMBL10766548 0.91 EPHX2 (0.34) ALOX5EPHX2TERTPTPN1PPARG

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-0213547-A1 Cyclohexanealkanoic acids MERRELL DOW PHARMACEUTICALS INC. (US) 1987-03-11 — — EP disclosed
US-4622422-A FOR TREATMENT OF BRONCHIAL ASTHMA MERRELL DOW PHARMACEUTICALS INC. (US) 1986-11-11 — — US disclosed
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