SCHEMBL8695134

SCHEMBL8695134

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)OC(=O)C1CCC1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.53
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ LPAR1 Q92633 2/20 0.38
▸ LPAR5 Q9H1C0 2/20 0.38
▸ 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
SCHEMBL8695015 0.86 ADAM17 (0.42) CPB1LPAR1LPAR5LMNAMAPT
SCHEMBL8692428 0.85 LPAR1 (0.39) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8691814 0.85 LPAR1 (0.47) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8693984 0.82 LPAR1 (0.44) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8691682 0.81 LPAR1 (0.42) CPB1LPAR1LPAR5LMNAMAPT
SCHEMBL8695137 0.80 CPB1 (0.41) CPB1ALDH1A1GAALPAR1LPAR5
SCHEMBL8692247 0.80 LPAR1 (0.38) LPAR1LPAR5LMNAMAPTALOX12
SCHEMBL8696186 0.79 LPAR1 (0.48) LPAR1LPAR5LMNAMAPT
SCHEMBL8695070 0.78 TSHR (0.52) TSHRALDH1A1
SCHEMBL8693975 0.78 LPAR1 (0.45) LPAR1LPAR5LMNAMAPT

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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