SCHEMBL13652815

SCHEMBL13652815

CCC(C)(C)c1cc(-n2n3c4ccccc4n23)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 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 0.90 ACSS2 (0.35) ALDH1A1KDM4ESMN1; SMN2CNR1CNR2
SCHEMBL9002299 0.89 MAPK1 (0.34) CYP3A4ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL2612597 0.89 SHBG (0.36) CYP3A4ALDH1A1ESR1ESR2CYP1A2
SCHEMBL12774894 0.88 TSHR (0.41) CYP3A4ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL2612593 0.88 ESR1 (0.42) CYP3A4ALDH1A1ESR1ESR2CYP1A2
SCHEMBL13652814 0.87 CYP3A4 (0.39) CYP3A4ALDH1A1ESR1ESR2CYP1A2
SCHEMBL13652813 0.81 ESR1 (0.38) CYP3A4ALDH1A1ESR1ESR2CYP2C9
SCHEMBL13652823 0.81 ESR1 (0.36) CYP3A4ALDH1A1ESR1ESR2CYP1A2
SCHEMBL13652839 0.81 CYP3A4 (0.34) CYP3A4ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10154219 0.80 NPC1 (0.41) CYP3A4ALDH1A1ESR1ESR2CYP1A2

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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