SCHEMBL5250696

SCHEMBL5250696

CC1CCC2[C@@H]1C(=O)N(c1ccc(Cl)cc1)C[C@H]2C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.40
BLM P54132 1/20 0.40
SRD5A1 P18405 1/20 0.38
GRM2 Q14416 1/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 2/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL6018772 1.00 HSD17B10 (0.42) HSD17B10ALOX15TSHRKMT2ABLM
SCHEMBL6019809 0.84 CYP3A4 (0.43) ALOX15TSHRKMT2AMEN1ALDH1A1
SCHEMBL6019364 0.84 ALDH1A1 (0.44) ALOX15TSHRKMT2AGRM2POLB
SCHEMBL11891370 0.71 ALOX15 (0.41) HSD17B10ALOX15TSHRKMT2ABLM
SCHEMBL6018783 0.71
SCHEMBL25269677 0.70 HDAC6 (0.46) HSD17B10ALOX15TSHRKMT2ABLM
Hydrochloric Acid SCHEMBL11031655 0.70 ALOX15 (0.40) HSD17B10ALOX15TSHRKMT2ABLM
SCHEMBL14835561 0.68 ALDH1A1 (0.44) HSD17B10ALOX15TSHRKMT2AALOX12
SCHEMBL11030834 0.68 ALOX15 (0.38) HSD17B10ALOX15TSHRKMT2ABLM
SCHEMBL6019489 0.67

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
EP-1831175-A1 DIHYDRONEPETALACTAMS AND N-SUBSTITUTED DERIVATIVES THEREOF E.I.Du pont de nemours and company (US) 2007-09-12 EP disclosed
WO-2006072037-A1 DIHYDRONEPETALACTAMS AND N-SUBSTITUTED DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-07-06 WO disclosed