SCHEMBL9769443

SCHEMBL9769443

O=Cc1c[nH]c2cc(OCO)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MAPT P10636 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP2A6 P11509 2/20 0.54
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
IMPDH2 P12268 1/20 0.47
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
HPGD P15428 1/20 0.40
MDH2 P40926 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL13548412 0.85 ALDH1A1 (0.70) ALDH1A1MAPTKDM4ECYP2A6PLG
SCHEMBL29957546 0.85 ALDH1A1 (0.70) ALDH1A1MAPTKDM4ECYP2A6PLG
SCHEMBL1418239 0.80 IMPDH2 (0.61) ALDH1A1MAPTKDM4ECYP2A6IMPDH2
SCHEMBL29951517 0.80 IMPDH2 (0.61) ALDH1A1MAPTKDM4ECYP2A6IMPDH2
SCHEMBL29954469 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ECYP2A6PLG
SCHEMBL671759 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ECYP2A6PLG
SCHEMBL9023421 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECYP2A6CYP1A2
SCHEMBL2539684 0.76 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP2A6PLG
SCHEMBL29957922 0.76 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP2A6PLG
SCHEMBL2537557 0.76 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP2A6PLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US claimed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US disclosed