SCHEMBL8691679

SCHEMBL8691679

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CC(C(=O)OCc2ccccc2)C1C=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 3/20 0.40
▸ LPAR5 Q9H1C0 3/20 0.40
▸ LMNA P02545 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL8694047 0.88 LPAR1 (0.44) LPAR1LPAR5LMNA
SCHEMBL8691846 0.88 LPAR1 (0.42) LPAR1LPAR5
SCHEMBL8693835 0.87 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL9094135 0.85 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL8692064 0.81 TRPM8 (0.40) LPAR1LPAR5
SCHEMBL9096734 0.81 LPAR1 (0.46) LPAR1LPAR5
SCHEMBL8691682 0.81 LPAR1 (0.42) LPAR1LPAR5LMNA
SCHEMBL8691033 0.80 LPAR1 (0.41) LPAR1LPAR5LMNA
SCHEMBL8694372 0.80 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL8696604 0.79 LPAR1 (0.42) 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
Send feedback