SCHEMBL7440542

SCHEMBL7440542

N#CCC(=O)CCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
EPHX2 P34913 1/20 0.42
TEAD3 Q99594 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FAAH O00519 1/20 0.39
MME P08473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL24989594 0.97 NAAA (0.42) MCL1EPHX2TEAD3TSHRHTT
SCHEMBL7428202 0.91 MCL1 (0.45) MCL1EPHX2TSHRHTTSMN1; SMN2
SCHEMBL956809 0.81 NPC1 (0.48) MCL1TSHRSMN1; SMN2L3MBTL1MME
SCHEMBL1988984 0.80 EPHX2 (0.48) EPHX2TEAD3TSHRHTTSMN1; SMN2
SCHEMBL15869131 0.80 TSHR (0.45) EPHX2TEAD3TSHRHTTSMN1; SMN2
SCHEMBL24872943 0.80 SMN1; SMN2 (0.47) EPHX2TEAD3TSHRHTTSMN1; SMN2
SCHEMBL25269510 0.79 EPHX2 (0.57) EPHX2TEAD3TSHRHTTSMN1; SMN2
SCHEMBL19032713 0.79 EPHX2 (0.57) EPHX2TEAD3TSHRHTTSMN1; SMN2
SCHEMBL10081325 0.79 EPHX2 (0.57) EPHX2TEAD3TSHRHTTSMN1; SMN2
SCHEMBL291194 0.79 SMN1; SMN2 (0.57) EPHX2TEAD3TSHRHTTSMN1; SMN2

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-4874760-A CALCIUM ANTAGONISTS TOA EIYO, LTD. (JP) 1989-10-17 US disclosed
EP-0277701-A1 Thiazolopyridine derivative, their production and cardiovascular treating agents containing them TOA EIYO LTD. (JP) 1988-08-10 EP disclosed