SCHEMBL8696912

SCHEMBL8696912

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CC(C(=O)OC(C(=O)O)C2CCCC2)C1C(=O)OC(C(=O)O)C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.38
▸ LPAR5 Q9H1C0 2/20 0.38
▸ PTGES O14684 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL8692839 0.99 LPAR1 (0.37) LPAR1LPAR5
SCHEMBL8694585 0.98 LPAR1 (0.38) LPAR1LPAR5PTGESLMNAMAPT
SCHEMBL8691283 0.96 LPAR1 (0.39) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8691646 0.96 LPAR1 (0.37) LPAR1LPAR5PTGES
SCHEMBL8692689 0.95 LPAR1 (0.37) LPAR1LPAR5
SCHEMBL8695004 0.94 LPAR1 (0.37) LPAR1LPAR5
SCHEMBL9095979 0.90 LPAR1 (0.41) LPAR1LPAR5PTGESLMNAMAPT
SCHEMBL9092949 0.89 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL9094116 0.89 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL9093002 0.88 LPAR1 (0.41) LPAR1LPAR5PTGES

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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