SCHEMBL13652836

SCHEMBL13652836

CC(C)(C)c1cc(-n2n3c4ccc(Cl)cc4n23)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ CCR9 P51686 2/20 0.34
▸ ACLY P53396 5/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ P2RX1 P51575 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13652835 0.89 ACSS2 (0.35) CNR1CNR2CCR9ACLYACSS2
SCHEMBL13652814 0.89 CYP3A4 (0.39) CNR1CNR2CYP3A4CYP1A2CYP2C9
SCHEMBL13652824 0.88 CNR1 (0.36) CNR1CNR2CCR9ACLYCYP3A4
SCHEMBL13652825 0.88 SMN1; SMN2 (0.35) CNR1CNR2CCR9ACLYCYP3A4
SCHEMBL9002272 0.87 CYP2C9 (0.35) CCR9ACLYCYP3A4CYP1A2CYP2C9
SCHEMBL2612593 0.82 ESR1 (0.42) CNR1CNR2CYP3A4CYP1A2CYP2C9
SCHEMBL9002281 0.78 TSHR (0.46) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL14566259 0.77 CA2 (0.43) CCR9TSHRALDH1A1
SCHEMBL7901461 0.77 NPC1 (0.41) CNR1CNR2CYP3A4CYP1A2CYP2C9
SCHEMBL13652815 0.77 CYP3A4 (0.34) CNR1CNR2CYP3A4CYP1A2CYP2C9

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
US-20090246416-A1 OPTICAL FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2009-10-01 — — US disclosed
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