SCHEMBL8493650

SCHEMBL8493650

CCCN(Cc1cccc(Oc2ccccc2)c1)C(=O)[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)[C@@H]1C(=O)N(CCC)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ PTGES O14684 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ CETP P11597 1/20 0.44

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
SCHEMBL8826048 1.00 TSHR (0.56) TSHRHSD17B10PTGESKDM4EALOX5
SCHEMBL8826050 1.00 TSHR (0.56) TSHRHSD17B10PTGESKDM4EALOX5
SCHEMBL8496824 1.00 TSHR (0.56) TSHRHSD17B10PTGESKDM4EALOX5
SCHEMBL8826180 0.89 LPAR1 (0.49) —
SCHEMBL8497624 0.89 LPAR1 (0.49) —
SCHEMBL8826185 0.89 LPAR1 (0.49) —
SCHEMBL8497626 0.89 LPAR1 (0.49) —
SCHEMBL8493909 0.89 LPAR1 (0.51) —
SCHEMBL8493183 0.89 LPAR1 (0.51) —
SCHEMBL8825925 0.89 LPAR1 (0.51) —

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-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 — — EP disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 — — EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 — — WO disclosed
Send feedback