SCHEMBL13652835

SCHEMBL13652835

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.35
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CCR9 P51686 2/20 0.31
▸ ACLY P53396 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
SCHEMBL13652825 0.90 SMN1; SMN2 (0.35) ACSS2CNR1CNR2KDM4EALDH1A1
SCHEMBL13652815 0.90 CYP3A4 (0.34) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL13652836 0.89 CNR1 (0.36) ACSS2CNR1CNR2KDM4EALDH1A1
SCHEMBL13652824 0.84 CNR1 (0.36) ACSS2CNR1CNR2KDM4EALDH1A1
SCHEMBL9002299 0.80 MAPK1 (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2612597 0.79 SHBG (0.36) ALDH1A1
SCHEMBL12774894 0.79 TSHR (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2612593 0.78 ESR1 (0.42) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL13652814 0.77 CYP3A4 (0.39) CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL13652822 0.76 ACSS2 (0.37) ACSS2KDM4EALDH1A1HPGDSMN1; SMN2

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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