SCHEMBL9505377

SCHEMBL9505377

C=CCN1C=CCC(=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 1/20 0.33
POLB P06746 2/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL19086522 0.82
SCHEMBL28480300 0.69 ALDH1A1 (0.41) CYP3A4ALDH1A1KMT2APOLBCA12
SCHEMBL12475877 0.69 POLB (0.38) CYP3A4ALDH1A1KMT2APOLBLMNA
SCHEMBL8664810 0.66 ADRA1D (0.42) KMT2APOLBLMNAGAA
SCHEMBL1498648 0.64 CYP3A4 (0.42) CYP3A4ALDH1A1KMT2ACASP3POLB
SCHEMBL3927245 0.63 ALDH1A1 (0.38) ALDH1A1KMT2AGAA
SCHEMBL10501263 0.62
SCHEMBL3963075 0.61 CYP3A4 (0.39) CYP3A4CASP3POLB
SCHEMBL8773349 0.61 CYP3A4 (0.31) CYP3A4
SCHEMBL4509613 0.60 CYP3A4 (0.36) CYP3A4KMT2A

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-0552360-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-07-28 EP disclosed
WO-1993003825-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-03-04 WO disclosed