SCHEMBL28611162

SCHEMBL28611162

CC(C)(C)c1ccc([PH](O)(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
CYP2C9 P11712 2/20 0.37
HSD17B2 P37059 1/20 0.35
DHODH Q02127 1/20 0.35
KIF11 P52732 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXRG P48443 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ASIC1 P78348 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL25437110 0.94 ALDH1A1 (0.36) RXRARXRBKIF11RXRGALDH1A1
SCHEMBL28779276 0.88 TSHR (0.37) RXRARXRBCYP2C9KIF11CYP1A2
SCHEMBL7615318 0.86 TSHR (0.36) RXRARXRBCYP2C9KIF11CYP1A2
SCHEMBL7640004 0.83 APEX1 (0.32) RXRARXRB
SCHEMBL1132099 0.80 RXRA (0.41) RXRARXRBCYP2C9HSD17B2DHODH
Benzene SCHEMBL28858178 0.79 ALDH1A1 (0.42) RXRARXRBCYP2C9KIF11CYP1A2
SCHEMBL27888171 0.77 RXRA (0.38) RXRARXRBCYP2C9HSD17B2DHODH
SCHEMBL1159989 0.75 ALDH1A1 (0.45) CYP2C9KIF11CYP1A2CYP3A4TSHR
SCHEMBL30059499 0.75 ALDH1A1 (0.33) RXRARXRBKIF11RXRGALDH1A1
SCHEMBL28957577 0.73 ALDH1A1 (0.43) CYP2C9KIF11CYP1A2CYP3A4TSHR

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
CN-108350262-B Resin composition, and optical lens, sheet and film each comprising same 三菱瓦斯化学株式会社 2021-07-30 CN disclosed