SCHEMBL18937149

SCHEMBL18937149

CCCC[C@@H]1CCCS1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL18937148 1.00 CYP1A2 (0.40) CYP1A2NOS1NOS2
SCHEMBL1419553 1.00 CYP1A2 (0.40) CYP1A2NOS1NOS2
SCHEMBL11705481 0.94 EPHX1 (0.35) CYP1A2
SCHEMBL1911580 0.94 EPHX1 (0.35) CYP1A2
SCHEMBL14153027 0.94 EPHX1 (0.35) CYP1A2
SCHEMBL10620419 0.92 EPHX1 (0.38) CYP1A2
SCHEMBL7711924 0.92 EPHX1 (0.38) CYP1A2
SCHEMBL12161640 0.92 EPHX1 (0.38) CYP1A2
SCHEMBL14976126 0.92 EPHX1 (0.38) CYP1A2
SCHEMBL10773640 0.92 EPHX1 (0.38) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560976-B9 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-06-07 EP disclosed