SCHEMBL8692242

SCHEMBL8692242

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CC(C(=O)NO)C1C(=O)OC

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.45
▸ LPAR1 Q92633 3/20 0.43
▸ LPAR5 Q9H1C0 3/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL8691915 0.92 ADAM17 (0.46) ADAM17LPAR1LPAR5HDAC1HDAC6
SCHEMBL8695152 0.92 LPAR1 (0.46) LPAR1LPAR5HDAC1HDAC6LMNA
SCHEMBL8691477 0.87 LPAR1 (0.45) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8498733 0.87 LPAR1 (0.47) ADAM17LPAR1LPAR5HDAC1HDAC6
SCHEMBL9114353 0.87 LPAR1 (0.47) ADAM17LPAR1LPAR5HDAC1HDAC6
SCHEMBL8498734 0.87 LPAR1 (0.47) ADAM17LPAR1LPAR5HDAC1HDAC6
SCHEMBL8695439 0.84 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL8826200 0.83 LPAR1 (0.51) LPAR1LPAR5HDAC1HDAC6
SCHEMBL8826205 0.83 LPAR1 (0.51) LPAR1LPAR5HDAC1HDAC6
SCHEMBL8497073 0.83 LPAR1 (0.51) LPAR1LPAR5HDAC1HDAC6

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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