SCHEMBL4013290

SCHEMBL4013290

Cc1cc(Cl)ccc1OCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.50
SLC6A4 P31645 1/20 0.49
HTR6 P50406 1/20 0.49
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SCN4A P35499 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL14312071 0.85 SSTR4 (0.53) LMNASMN1; SMN2HPGDTSHRSLC6A4
SCHEMBL2299930 0.85 LMNA (0.45) LMNASMN1; SMN2HPGDTSHRPOLB
SCHEMBL23466495 0.79 HTR2C (0.56) HTR2CHTR2BLMNASMN1; SMN2HPGD
SCHEMBL19962876 0.79 ALDH1A1 (0.47) LMNASMN1; SMN2HPGDPOLBMAPK1
SCHEMBL31063296 0.79 NPC1 (0.54) HTR2CHTR2BLMNASMN1; SMN2SLC6A4
SCHEMBL29757994 0.79 HTR2C (0.56) HTR2CHTR2BLMNASMN1; SMN2HPGD
SCHEMBL17366258 0.79 SSTR4 (0.43) HTR2CHTR2BHPGDALDH1A1MEN1
SCHEMBL2561303 0.79 NOS3 (0.44) HTR2CHTR2BHPGDALDH1A1
SCHEMBL22693816 0.78 PDE4B (0.43) HTR2CHTR2BSMN1; SMN2HPGDALDH1A1
SCHEMBL24334343 0.78 KDM4E (0.54) HTR2CHTR2BLMNASMN1; SMN2HPGD

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
WO-2009010560-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-01-22 WO disclosed
WO-2009010560-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-01-22 WO disclosed