SCHEMBL10455853

SCHEMBL10455853

O=C(c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)cc1)C(Cl)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 3/20 0.38
▸ ACACB O00763 2/20 0.37
▸ SRD5A1 P18405 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ACSL1 P33121 2/20 0.36
▸ ACSL3 O95573 1/20 0.35
▸ ACSL6 Q9UKU0 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ ADRB1 P08588 1/20 0.35

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
SCHEMBL10455806 0.82 ELANE (0.45) EPHX2NOTUMFAAH
SCHEMBL10455809 0.77 EPHX2 (0.43) EPHX2DGAT1ACSL1ACSL3ACSL6
SCHEMBL11752125 0.75 MAPT (0.48) —
SCHEMBL10454523 0.74 MAPT (0.54) EPHX2NOTUMFAAH
SCHEMBL9279536 0.74 MEN1 (0.55) S1PR1
SCHEMBL10455781 0.73 ELANE (0.57) EPHX2DGAT1ACSL1ACSL3ACSL6
SCHEMBL10455484 0.73 KMT2A (0.42) EPHX2DGAT1NOTUMFAAH
SCHEMBL10455517 0.73 KMT2A (0.42) EPHX2DGAT1NOTUMFAAH
SCHEMBL26857799 0.72 AKR1C3 (0.51) EPHX2DGAT1ACSL1ACSL3ACSL6
SCHEMBL10454525 0.72 KMT2A (0.53) SRD5A1EPHX2DGAT1ACSL1ACSL3

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-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
Send feedback