SCHEMBL5454873

SCHEMBL5454873

COC(=O)CCc1ccc(Nc2cc(C)cc(Nc3ccc(CCC(=O)OC)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
IDO1 P14902 1/20 0.46
SYK P43405 6/20 0.46
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
FFAR1 O14842 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7759977 0.97 EPHX2 (0.48) EPHX2IDO1SYKCYP4F2CYP4A11
SCHEMBL7756814 0.89 FFAR1 (0.53) EPHX2IDO1CYP4F2CYP4A11FFAR1
SCHEMBL14717782 0.89 EPHX2 (0.56) EPHX2IDO1CYP4F2CYP4A11SIRT2
SCHEMBL14685742 0.87 SIRT2 (0.51) EPHX2IDO1SIRT2FFAR1KMT2A
SCHEMBL6289443 0.84 SMN1; SMN2 (0.49) EPHX2IDO1CYP4F2CYP4A11HDAC8
SCHEMBL2776004 0.83 TDP1 (0.51) EPHX2IDO1SIRT2FFAR1
SCHEMBL7760724 0.81 F2RL1 (0.63) FFAR1KMT2A
SCHEMBL2569441 0.80 L3MBTL1 (0.55) EPHX2IDO1CYP4F2CYP4A11FFAR1
SCHEMBL22922181 0.80 CYP4F2 (0.59) EPHX2IDO1CYP4F2CYP4A11ADRB2
SCHEMBL12431333 0.79 EPHX2 (0.48) EPHX2IDO1SYKCYP4F2CYP4A11

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-20070021572-A1 Diamine compound polymer having 1,3-phenylene group FUJI XEROX CO., LTD. 2007-01-25 US disclosed