SCHEMBL10455646

SCHEMBL10455646

O=C(c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)cc1)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 3/20 0.49
▸ HPGDS O60760 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ DGAT1 O75907 4/20 0.41
▸ ELANE P08246 1/20 0.40
▸ ACSL1 P33121 1/20 0.39
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL10455781 0.83 ELANE (0.57) ALDH1A1LMNADGAT1ELANEACSL1
SCHEMBL10455809 0.79 EPHX2 (0.43) ALDH1A1LMNADGAT1ELANEACSL1
SCHEMBL26857799 0.77 AKR1C3 (0.51) DGAT1ACSL1
SCHEMBL10454525 0.77 KMT2A (0.53) RAB9ADGAT1ELANEACSL1KMT2A
SCHEMBL10455347 0.76 CYP2C9 (0.56) NPC1RAB9AHPGDSLMNACYP2C9
SCHEMBL10455346 0.76 CYP2C9 (0.56) NPC1RAB9AHPGDSLMNACYP2C9
SCHEMBL10454499 0.76 CYP2C9 (0.56) NPC1RAB9AHPGDSLMNACYP2C9
SCHEMBL10455515 0.76 CYP2C9 (0.56) NPC1RAB9AHPGDSLMNACYP2C9
SCHEMBL10186411 0.76 ALDH1A1 (0.55) NPC1RAB9AHTTALDH1A1LMNA
SCHEMBL10454504 0.76 ELANE (0.43) ALDH1A1DGAT1ELANEACSL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP claimed
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP disclosed
US-4916147-A 3-[(4-Aroyl) phenoxy (or phenylthio)]-cyclopentanecarboxylic acid analogues and treatment of cerebral edema therewith ONO PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0210772-A2 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP disclosed
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