SCHEMBL16868408

SCHEMBL16868408

O=C(O)c1cc2cccc3c4cccc5c(C(=O)O)c(C(=O)O)c(C(=O)O)c(c(c1)c23)c54

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL4949003 0.84 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL10012128 0.84 MEN1 (0.68) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL28384030 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL6570619 0.76 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL27880221 0.75 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL9170208 0.74 CA12 (0.52) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL4885354 0.73 HSD17B10 (0.48) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL26963211 0.73 HSD17B10 (0.42) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL27722555 0.72 MEN1 (0.66) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL275486 0.71 KMT2A (0.53) MEN1KMT2AALDH1A1KDM4ECYP1A2

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-9073937-B2 Organic photovoltaic-battery hybrid device BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2015-07-07 US claimed