SCHEMBL13987124

SCHEMBL13987124

CC(C)(C)OC(=O)N(CCCCC(=O)c1ccc2c(c1)NC(=O)CO2)CCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 6/20 0.44
RXFP1 Q9HBX9 2/20 0.44
USP2 O75604 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13987983 0.91 NPSR1 (0.47) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4860213 0.91 CASP3 (0.50) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL13988010 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4859795 0.90 CASP3 (0.49) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4852531 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4851844 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4863090 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4850112 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4850101 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTRXFP1USP2
SCHEMBL4855459 0.88 MAPT (0.47) ALDH1A1KDM4EMAPTRXFP1USP2

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed