SCHEMBL11209620

SCHEMBL11209620

CC(=O)OC(C)n1c2ccccc2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HTT P42858 2/20 0.45
NPY5R Q15761 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
GPR3 P46089 1/20 0.38
KAT2B Q92831 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3673954 0.83 POLB (0.43) POLBHTTNPY5RKDM4EELANE
SCHEMBL3673989 0.80 POLB (0.40) POLBHTTNPY5RKDM4EELANE
SCHEMBL27853671 0.76 MEN1 (0.43) POLBHTTKDM4EALDH1A1HPGD
SCHEMBL27841871 0.76 POLB (0.53) POLBHTTNPY5RKDM4EALDH1A1
SCHEMBL21792682 0.75 GPR3 (0.44) POLBHTTNPY5RKDM4EALDH1A1
SCHEMBL28771224 0.75 ELANE (0.35) POLBHTTNPY5RKDM4EELANE
SCHEMBL29035971 0.74 POLB (0.38) POLBHTTKDM4EELANEF2
Bromide SCHEMBL27763431 0.73 F12 (0.45) POLBHTTKDM4EALDH1A1MEN1
SCHEMBL28121959 0.73 POLB (0.55) POLBHTTNPY5RKDM4EALDH1A1
SCHEMBL11558606 0.72 ALDH1A1 (0.51) KDM4EALDH1A1HPGDKMT2AHSD17B10

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed