SCHEMBL13652813

SCHEMBL13652813

Cc1cc(-n2n3c4ccccc4n23)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CNR1 P21554 4/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CA2 P00918 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSPA5 P11021 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ LMNA P02545 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
SCHEMBL13652824 0.89 CNR1 (0.36) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL2612593 0.87 ESR1 (0.42) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652814 0.86 CYP3A4 (0.39) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13245893 0.85 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL13652818 0.82 ESR1 (0.40) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652815 0.81 CYP3A4 (0.34) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL2612597 0.80 SHBG (0.36) ESR1ESR2ALDH1A1CYP3A4CYP2C9
SCHEMBL13223648 0.80 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8861272 0.78 NPC1 (0.58) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652820 0.77 ESR1 (0.35) ESR1ESR2ALDH1A1CYP3A4CNR1

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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