SCHEMBL3431763

SCHEMBL3431763

C=CCC1(c2ccc(N)cc2)C=Cc2ccccc2C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31

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
SCHEMBL15345499 0.72 MAOB (0.40)
SCHEMBL8618243 0.66 PARP1 (0.33)
SCHEMBL7882155 0.63 PARP1 (0.36)
SCHEMBL1725344 0.63 PARP1 (0.36)
SCHEMBL2288761 0.63 PARP1 (0.39)
SCHEMBL11856621 0.62 MAOA (0.36)
SCHEMBL15406160 0.61 ALDH1A1 (0.50) CYP19A1
SCHEMBL15940564 0.61 PARP1 (0.34)
SCHEMBL5290390 0.61 PARP1 (0.34)
SCHEMBL6536567 0.61 PARP1 (0.34)

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
WO-2010066555-A2 PROCESS FOR PREPARING A PHOTOCHROMIC POLYMERIC COMPOSITION, THUS OBTAINED POLYMERIC COMPOSITION AND USE THEREOF EVONIK RÖHM GMBH (DE) 2010-06-17 WO disclosed
WO-2010066071-A1 PROCESS FOR PREPARING A PHOTOCHROMIC POLYMERIC COMPOSITION, THUS OBTAINED POLYMERIC COMPOSITION AND USE THEREOF EVONIK ROEHM GMBH (DE) 2010-06-17 WO disclosed