SCHEMBL8694886

SCHEMBL8694886

CCCN(Cc1cccc(Oc2ccccc2)c1)C(=O)C1CC(C(=O)O)C1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PTGES O14684 1/20 0.48
▸ FFAR1 O14842 3/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL8698291 0.90 LPAR1 (0.46) —
SCHEMBL8691812 0.90 LPAR1 (0.46) —
SCHEMBL8694285 0.90 LPAR1 (0.46) —
SCHEMBL8691994 0.88 ALDH1A1 (0.44) FFAR1
SCHEMBL8696950 0.87 LPAR1 (0.42) —
SCHEMBL8826048 0.87 TSHR (0.56) TSHRHSD17B10PTGESKDM4E
SCHEMBL8826050 0.87 TSHR (0.56) TSHRHSD17B10PTGESKDM4E
SCHEMBL8496824 0.87 TSHR (0.56) TSHRHSD17B10PTGESKDM4E
SCHEMBL8493650 0.87 TSHR (0.56) TSHRHSD17B10PTGESKDM4E
SCHEMBL8692627 0.86 LPAR1 (0.41) —

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-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 — — US disclosed
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