SCHEMBL8675725

SCHEMBL8675725

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TET2 Q6N021 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
GRIK1 P39086 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL8677533 1.00 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL8675721 1.00 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL13360140 0.86 GRIK1 (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL27415681 0.84 TET2 (0.37) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9715012 0.84 HMGCR (0.35) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9240784 0.84 FNTA (0.43) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9246547 0.78 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL11132596 0.78 GRIK1 (0.34) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL5490762 0.75
SCHEMBL27752720 0.75 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424099-B1 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORP (US) 1995-10-04 EP claimed
EP-0697029-B1 AQUEOUS POLYMER DISPERSIONS AND THEIR USE IN THE PRODUCTION OF COATINGS WHICH ARE PERMEABLE TO WATER VAPOUR ROTTA GMBH (DE) 1998-08-26 EP disclosed
EP-0697029-A1 AQUEOUS POLYMER DISPERSIONS AND THEIR USE IN THE PRODUCTION OF COATINGS WHICH ARE PERMEABLE TO WATER VAPOUR ROTTA GMBH (DE) 1996-02-21 EP disclosed
WO-1994026831-A1 AQUEOUS POLYMER DISPERSIONS AND THEIR USE IN THE PRODUCTION OF COATINGS WHICH ARE PERMEABLE TO WATER VAPOUR ROTTA GMBH (DE) 1994-11-24 WO disclosed