SCHEMBL8694961

SCHEMBL8694961

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CC(C(=O)OCOC(=O)C(C)(C)C)C1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.38
▸ LPAR5 Q9H1C0 2/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADAM17 P78536 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
SCHEMBL8697309 0.96 LPAR1 (0.39) LPAR1LPAR5MEN1KMT2AADAM17
SCHEMBL8694405 0.90 LPAR1 (0.40) LPAR1LPAR5MEN1KMT2A
SCHEMBL8691859 0.90 LPAR1 (0.40) LPAR1LPAR5ADAM17
SCHEMBL8696743 0.89 LPAR1 (0.39) LPAR1LPAR5ADAM17
SCHEMBL8691864 0.89 LPAR1 (0.39) LPAR1LPAR5ADAM17
SCHEMBL8696604 0.88 LPAR1 (0.42) LPAR1LPAR5ADAM17
SCHEMBL9094507 0.87 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL9094698 0.87 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL8692009 0.87 LPAR1 (0.42) LPAR1LPAR5ADAM17
SCHEMBL8694597 0.86 LPAR1 (0.41) LPAR1LPAR5MEN1KMT2A

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
Send feedback