SCHEMBL9726624

SCHEMBL9726624

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
EPHX2 P34913 6/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RECQL P46063 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
SCHEMBL9726435 0.88 TSHR (0.48) TSHREPHX2ALDH1A1LMNACA12
SCHEMBL26478859 0.81 ZDHHC20 (0.56) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL23030243 0.79 TSHR (0.45) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL17722840 0.78 ALDH1A1 (0.54) TSHREPHX2ALDH1A1LMNA
SCHEMBL9726453 0.78 PRMT1 (0.48) TSHREPHX2ALDH1A1LMNA
SCHEMBL2612181 0.76 ZDHHC20 (0.59) TSHREPHX2ALDH1A1LMNARECQL
SCHEMBL407248 0.75 TSHR (0.61) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL9726698 0.75 TET2 (0.50) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL21538522 0.75 TSHR (0.61) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL4103840 0.74 TSHR (0.54) TSHREPHX2ALDH1A1LMNASMN1; 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 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