Sugi Predict

Sugi Predict / Compounds / SCHEMBL8497851

SCHEMBL8497851

SCHEMBL8497851

CCCN(Cc1ccc(Oc2cccc(C)c2)cc1)C(=O)[C@H]1[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]1C(=O)N(CCC)Cc1ccc(Oc2cccc(C)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR5 Q9H1C0 2/20 0.43
▸ FFAR1 O14842 1/20 0.43

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
SCHEMBL8826268 1.00 HSD17B1 (0.44) HSD17B1HSD17B2LPAR1LPAR5FFAR1
SCHEMBL8497855 1.00 HSD17B1 (0.44) HSD17B1HSD17B2LPAR1LPAR5FFAR1
SCHEMBL8826266 1.00 HSD17B1 (0.44) HSD17B1HSD17B2LPAR1LPAR5FFAR1
SCHEMBL8498095 1.00 HSD17B1 (0.44) HSD17B1HSD17B2LPAR1LPAR5FFAR1
SCHEMBL8493909 0.90 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL4959382 0.90 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL9255423 0.90 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL8494932 0.90 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL8493183 0.90 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL8825925 0.90 LPAR1 (0.51) LPAR1LPAR5

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
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 — — EP disclosed
Send feedback