SCHEMBL8946733

SCHEMBL8946733

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(C2CCCCC2)nc1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.46
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MAPK14 Q16539 1/20 0.41
PYGL P06737 4/20 0.39
CYP2C9 P11712 1/20 0.39
CNR1 P21554 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
SCHEMBL8946489 0.86 PYGL (0.46) TAS1R3TAS1R1MAPK14PYGLCYP2C9
SCHEMBL8946406 0.83 LPAR1 (0.47) LPAR1
SCHEMBL8946582 0.81 LPAR1 (0.50) LPAR1
SCHEMBL8823127 0.81 LPAR1 (0.38) LPAR1TAS1R3TAS1R1CNR1
SCHEMBL8946359 0.76 NTRK1 (0.53) LPAR1
SCHEMBL8946668 0.76 LPAR1 (0.47) LPAR1
SCHEMBL8946495 0.76 MEN1 (0.42) LPAR1CNR1
SCHEMBL8946794 0.74 LPAR1 (0.45) LPAR1
SCHEMBL8946575 0.74 MEN1 (0.43) LPAR1CNR1
SCHEMBL8946569 0.74 LPAR1 (0.46) LPAR1MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed