SCHEMBL16852328

SCHEMBL16852328

C=C(C)C(=O)OCc1cc(O)c2c(=O)c3ccccc3[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.41
MAOA P21397 1/20 0.41
NQO1 P15559 1/20 0.41
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
P2RY12 Q9H244 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 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
SCHEMBL9723008 0.80 KDM4E (0.53) MEN1KMT2AMAOACTSVCTSL
SCHEMBL382594 0.73 GAA (0.58) GAAMEN1KMT2APOLBCASP6
SCHEMBL16852339 0.73 TSHR (0.34) POLBTDP1NQO1KDM4EALDH1A1
SCHEMBL15583676 0.72 RXFP1 (0.39) MEN1KMT2APOLBTDP1NQO1
Carbazole SCHEMBL28117037 0.71 KDM4E (0.57) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL18904501 0.70 TSHR (0.40) GAAPOLBTDP1KDM4EALDH1A1
SCHEMBL15583774 0.68 NQO1 (0.38) GAAKMT2APOLBMAOANQO1
SCHEMBL18904517 0.68 KDM4E (0.45) GAAMEN1KMT2APOLBCASP6
SCHEMBL13609786 0.68 PKM (0.55) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL15583674 0.67 PBRM1 (0.41) ABCG2MAOANQO1KDM4E

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-9249249-B2 Light absorbing compounds for optical polymers BAUSCH & LOMB INCORPORATED (US) 2016-02-02 US disclosed
US-20150175732-A1 LIGHT ABSORBING COMPOUNDS FOR OPTICAL POLYMERS BAUSCH & LOMB INCORPORATED (US) 2015-06-25 US disclosed