SCHEMBL21241003

SCHEMBL21241003

CCc1ccc(/C(=C(\c2ccccc2)c2ccc(CN)cc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LOXL2 Q9Y4K0 4/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SNCA P37840 2/20 0.46
ESR1 P03372 3/20 0.44
CYP19A1 P11511 3/20 0.44
ESR2 Q92731 2/20 0.44
F10 P00742 1/20 0.44
KIF11 P52732 1/20 0.41
CYP3A4 P08684 1/20 0.41
PLK1 P53350 1/20 0.40
ABAT P80404 1/20 0.40

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
SCHEMBL69667 0.90 LOXL2 (0.59) LOXL2TAAR1SNCAESR1CYP19A1
SCHEMBL69668 0.90 LOXL2 (0.59) LOXL2TAAR1SNCAESR1CYP19A1
SCHEMBL22361625 0.90 LOXL2 (0.59) LOXL2TAAR1SNCAESR1CYP19A1
SCHEMBL80681 0.85 LMNA (0.49) LOXL2SMN1; SMN2TAAR1SNCAESR1
Ethylbenzene SCHEMBL27229 0.81 LOXL2 (0.74) LOXL2TP53SMN1; SMN2TAAR1KIF11
SCHEMBL21241545 0.81 CES2 (0.58) ALDH1A1TP53SMN1; SMN2SNCAESR1
Ethylbenzene SCHEMBL9229968 0.79 LOXL2 (0.70) LOXL2TP53SMN1; SMN2TAAR1KIF11
Ethylbenzene SCHEMBL8625152 0.79 LOXL2 (0.70) LOXL2TP53SMN1; SMN2TAAR1KIF11
SCHEMBL27923092 0.78 LOXL2 (0.50) LOXL2TAAR1ESR1CYP19A1ESR2
SCHEMBL240341 0.78 TAAR1 (0.62) LOXL2TP53SMN1; SMN2TAAR1ABAT

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-2839284-B1 A MICROPARTICLE ASSEMBLY NAT UNIV SINGAPORE (SG) 2019-08-07 EP disclosed