SCHEMBL9618400

SCHEMBL9618400

COC(=O)CCC(CSc1ccc2ccccc2c1)C(=O)N(C(C)C1CCCCC1)C(C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G2A P14555 2/20 0.36
EPHX1 P07099 2/20 0.36
FAAH O00519 1/20 0.36
PLA2G10 O15496 1/20 0.36
SLC6A3 Q01959 3/20 0.36
CAPN1 P07384 1/20 0.36
CTSB P07858 1/20 0.36
ALOX5AP P20292 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ANPEP P15144 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
SCHEMBL9558996 0.84 CASR (0.41) MAPTPLA2G2AEPHX1PLA2G10SLC6A3
SCHEMBL9558477 0.78 PLA2G2A (0.45) MAPTCYP3A4PLA2G2APLA2G10CAPN1
SCHEMBL9558864 0.77 CCKBR (0.48) CYP3A4PLA2G2APLA2G10
SCHEMBL9558991 0.70 PLA2G2A (0.42) CYP3A4PLA2G2APLA2G10
SCHEMBL9558971 0.69 ANPEP (0.46) MAPTCYP3A4PLA2G2APLA2G10CAPN1
SCHEMBL20087750 0.68 SLC6A2 (0.46) MAPTCYP3A4EPHX1FAAHSLC6A3
SCHEMBL20087747 0.68 SLC6A2 (0.46) MAPTCYP3A4EPHX1FAAHSLC6A3
SCHEMBL9361081 0.67 ANPEP (0.56) MAPTCYP3A4ANPEP
SCHEMBL5950937 0.66 BACE1 (0.50) MAPTCYP3A4EPHX1PLA2G10ANPEP
SCHEMBL5950938 0.66 BACE1 (0.50) MAPTCYP3A4EPHX1PLA2G10ANPEP

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
JP-4095063-A None JP disclosed
JP-H0495063-A NAPHTHYLTHIOALKYLCARBOXYLIC ACID DERIVATIVE KISSEI PHARMACEUT CO LTD 1992-03-27 JP disclosed