SCHEMBL9726435

SCHEMBL9726435

[CH]=CC(=O)NCCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CA12 O43570 4/20 0.45
CA14 Q9ULX7 4/20 0.45
EPHX2 P34913 2/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 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
SCHEMBL9726624 0.88 TSHR (0.52) TSHRCA12CA14EPHX2LMNA
SCHEMBL9726454 0.82 GAA (0.45) TSHRKMT2AALDH1A1HPGDHSD17B10
SCHEMBL10068430 0.81 TSHR (0.50) TSHRCA12CA14EPHX2KMT2A
SCHEMBL2612179 0.79 ZDHHC20 (0.50) TSHRCA12CA14EPHX2KMT2A
SCHEMBL9726698 0.78 TET2 (0.50) TSHRCA12CA14EPHX2KMT2A
SCHEMBL15482650 0.78 TSHR (0.46) TSHRCA12CA14EPHX2KMT2A
SCHEMBL22043406 0.76 ALDH1A1 (0.50) TSHRCA12CA14EPHX2LMNA
SCHEMBL9726421 0.76 ECE1 (0.45) LMNAKDM4EHTT
SCHEMBL22071784 0.73 TSHR (0.41) TSHRCA12CA14EPHX2KMT2A
SCHEMBL15482557 0.73 TSHR (0.41) TSHRCA12CA14EPHX2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed