SCHEMBL3417517

SCHEMBL3417517

CC(C)(C)c1cc(C(C)(C)C)c(OP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TNFRSF1A P19438 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
TACR1 P25103 1/20 0.33
MAPK1 P28482 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11300513 0.86 ALDH1A1 (0.39) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4154409 0.85 TSHR (0.39) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL11488213 0.85 CYP1A2 (0.36) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL8360217 0.83 CA2 (0.40) TSHRCYP3A4MAPK1RXRAALDH1A1
SCHEMBL31556870 0.81 APEX1 (0.39) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7115234 0.81 APEX1 (0.39) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL17807568 0.79 CYP3A4 (0.37) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7644132 0.79 CYP1A2 (0.33) CYP2C19TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL8634811 0.78 ALDH1A1 (0.36) TSHRCYP1A2CYP3A4TNFRSF1ATACR1
SCHEMBL11525106 0.78 CYP1A2 (0.37) CYP2C19TSHRCYP1A2CYP3A4CYP2C9

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
EP-0004026-B1 HYDROLYTICALLY STABLE ORTHO-ALKYLATED PHENYL PHOSPHONITES AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1982-05-05 EP claimed
US-20100252786-A1 CELLULOSE ESTER FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2010-10-07 US disclosed
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 US disclosed