SCHEMBL8691682

SCHEMBL8691682

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C(=O)C1CCC1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 3/20 0.42
▸ LPAR5 Q9H1C0 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CPB1 P15086 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ PTGES O14684 1/20 0.40

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
SCHEMBL8691846 0.83 LPAR1 (0.42) LPAR1LPAR5
SCHEMBL8693169 0.83 LPAR1 (0.40) LPAR1LPAR5CPB1ADAM17
SCHEMBL8693835 0.82 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL9094199 0.82 LPAR1 (0.44) LPAR1LPAR5PTGES
SCHEMBL8691033 0.82 LPAR1 (0.41) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8693843 0.81 LMNA (0.39) LMNA
SCHEMBL8691679 0.81 LPAR1 (0.40) LPAR1LPAR5LMNA
SCHEMBL8694372 0.81 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL8695134 0.81 CPB1 (0.53) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL9096734 0.80 LPAR1 (0.46) 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
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 — — US disclosed
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