SCHEMBL20105166

SCHEMBL20105166

CC(C)(C)c1ccc(CPCc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1I2 O75469 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 3/20 0.34
HTR1D P28221 2/20 0.34

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
SCHEMBL2582081 0.81 CYP2C19 (0.47) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL10442609 0.81 CYP1A2 (0.47) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL944498 0.79 CYP2C19 (0.46) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL1447610 0.79 KLF10 (0.47) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL28125192 0.78 CYP1A2 (0.44) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL676422 0.78 CYP1A2 (0.44) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL6712753 0.78 CYP2C19 (0.44) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL779415 0.75 ALDH1A1 (0.48) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL29630132 0.75 ALDH1A1 (0.48) CYP1A2CYP2C19NR1I2TSHRALDH1A1
SCHEMBL19224292 0.74 CYP1A2 (0.42) CYP1A2CYP2C19NR1I2TSHRALDH1A1

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-3315557-A1 POLYAMIDE COMPOSITION FOR LED REFLECTION PLATE, LED REFLECTION PLATE, AND LIGHT-EMITTING DEVICE INCLUDING REFLECTION PLATE Kuraray Co., Ltd. (JP) 2018-05-02 EP disclosed