SCHEMBL11468012

SCHEMBL11468012

Cc1cc(C(C)(C)C)c(O)c(C)c1CC(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.46
CYP2D6 P10635 4/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTGS2 P35354 2/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1D P28221 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
SCHEMBL11099351 0.87 CYP2C19 (0.43) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11460548 0.85 LMNA (0.42) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11315628 0.81 CYP2C19 (0.48) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11768030 0.80 GRIK1 (0.39) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11770543 0.80 GRIK1 (0.39) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11662216 0.79 GLRA3 (0.43) CYP2C19CYP2D6LMNACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL11337216 0.79 LMNA (0.49) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11099358 0.79 CYP2C19 (0.41) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11487244 0.78 HMGCR (0.51) CYP2C19CYP2D6LMNACYP3A4CYP1A2
SCHEMBL11464540 0.78 ESR1 (0.45) CYP2C19CYP2D6LMNACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4196301-A STABILIZERS, OXIDATION AND HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1980-04-01 US disclosed
US-4187246-A HEAT AND LIGHT STABILIZERS FOR POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1980-02-05 US disclosed
US-4093618-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1978-06-06 US disclosed
US-4075161-A STABILIZERS FOR POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-3988363-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-10-26 US disclosed