SCHEMBL6338152

SCHEMBL6338152

CCC(O)(CC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CPT2 P23786 1/20 0.35
ACLY P53396 1/20 0.35
FFAR3 O14843 1/20 0.35
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 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
SCHEMBL10940349 0.87 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL12685838 0.77 PIK3CD (0.35) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL506048 0.76
Sebacic Acid SCHEMBL28647852 0.76 GPR84 (0.52) ALDH1A1TSHR
SCHEMBL18510143 0.74 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL27934713 0.73 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL5511294 0.73 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL12297009 0.72 FDPS (0.39) ALDH1A1CYP2C19
SCHEMBL6700618 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL4631804 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846862-B2 Binder system and method for particulate material cross-reference to related application APEX ADVANCED TECHNOLOGIES, LLC (US) 2005-01-25 US disclosed
US-20030220424-A1 Binder system and method for particulate material cross-reference to related application JOHNSON ELECTRIC NORTH AMERICA, INC. 2003-11-27 US disclosed
WO-2002000569-A2 BINDER SYSTEM AND METHOD FOR FORMING SINTERED PARTS BY POWDER INJECTION MOLDING APEX ADVANCED TECHNOLOGIES, LLC (US) 2002-01-03 WO disclosed