SCHEMBL12326180

SCHEMBL12326180

COc1ccc(-c2ccc(OC)cc2C)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP1A2 P05177 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
APP P05067 1/20 0.48
SNCA P37840 1/20 0.48

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
SCHEMBL679848 0.86 SMN1; SMN2 (0.55) CA1CA2CA7CA9CA12
SCHEMBL12326163 0.85 CA12 (0.47) CA1CA2CA7CA9CA12
SCHEMBL17178237 0.84 CYP11B1 (0.43) CYP1A2MEN1MAPTKMT2AALDH1A1
SCHEMBL7822185 0.83 ESR2 (0.55) CYP1A2MEN1MAPTKMT2AALDH1A1
SCHEMBL10068337 0.83 ACHE (0.54) CYP1A2MEN1MAPTKMT2AALDH1A1
SCHEMBL17178230 0.83 CYP1A2 (0.48) CA1CA2CA7CA9CYP1A2
SCHEMBL25251070 0.82 LMNA (0.46) CYP1A2MEN1KMT2ACYP3A4CYP2C19
SCHEMBL12989512 0.82 MAPK1 (0.48) CYP1A2MEN1MAPTKMT2AALDH1A1
SCHEMBL6011428 0.82 TDP1 (0.47) CA1CA2CYP1A2MEN1MAPT
SCHEMBL1673424 0.82 ALDH1A1 (0.46) CYP1A2MEN1MAPTKMT2AALDH1A1

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
WO-2011118845-A1 POLYESTER RESIN, AND OPTICAL MATERIALS, FILMS AND IMAGE DISPLAY DEVICES USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-29 WO disclosed