SCHEMBL9715012

SCHEMBL9715012

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.32
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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 0.84 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL8675721 0.84 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL8675725 0.84 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL13360140 0.77 GRIK1 (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL9240784 0.75 FNTA (0.43) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL27415681 0.75 TET2 (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL8472992 0.70
SCHEMBL11132596 0.70 GRIK1 (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL9246547 0.70 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL5528664 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242080-B1 COPOLYMER COMPOSITIONS PARAGON OPTICAL INC (US) 1992-12-16 EP claimed