SCHEMBL7759977

SCHEMBL7759977

COC(=O)CCc1ccc(Nc2cc(C)cc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
IDO1 P14902 1/20 0.46
SYK P43405 6/20 0.46
HDAC8 Q9BY41 1/20 0.45
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
FFAR1 O14842 2/20 0.42
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 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
SCHEMBL5454873 0.97 EPHX2 (0.48) EPHX2IDO1SYKHDAC8KMT2A
SCHEMBL7756814 0.89 FFAR1 (0.53) EPHX2IDO1KMT2ACYP4F2CYP4A11
SCHEMBL14717782 0.89 EPHX2 (0.56) EPHX2IDO1KMT2ACYP4F2CYP4A11
SCHEMBL14685742 0.87 SIRT2 (0.51) EPHX2IDO1KMT2ASIRT2FFAR1
SCHEMBL6289443 0.84 SMN1; SMN2 (0.49) EPHX2IDO1HDAC8KMT2ACYP4F2
SCHEMBL2776004 0.83 TDP1 (0.51) EPHX2IDO1SIRT2FFAR1POLB
SCHEMBL12370805 0.81 SYK (0.50) SYKCYP4F2CYP4A11FFAR1
SCHEMBL7760724 0.81 F2RL1 (0.63) KMT2AFFAR1POLB
SCHEMBL9861207 0.80 KMT2A (0.49) HDAC8KMT2ACYP4F2CYP4A11SIRT2
SCHEMBL2569441 0.80 L3MBTL1 (0.55) EPHX2IDO1KMT2ACYP4F2CYP4A11

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
EP-0755916-B1 Process for the preparation of amine compound FUJI XEROX CO LTD (JP) 2001-04-25 EP disclosed
EP-0755916-A2 Process for the preparation of amine compound FUJI XEROX CO., LTD. (JP) 1997-01-29 EP disclosed