SCHEMBL9726431

SCHEMBL9726431

O=CCCNN1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4684118 0.98 ALDH1A1 (0.30) ALDH1A1
SCHEMBL15876976 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28340960 0.70 GNAI3 (0.32)
SCHEMBL948059 0.69 ACE2 (0.36) ALDH1A1
SCHEMBL15270422 0.69 SLC29A1 (0.36) ALDH1A1
SCHEMBL1238549 0.69 GNAI3 (0.41) ALDH1A1
SCHEMBL6039310 0.69
SCHEMBL9726426 0.68
SCHEMBL271770 0.67 HTT (0.41) ALDH1A1
Water SCHEMBL28818080 0.67 GNAI3 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed
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