SCHEMBL7064464

SCHEMBL7064464

COC(=O)[C@@H]1CCN1[C@@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
AGTR2 P50052 1/20 0.43
HTR1A P08908 2/20 0.43
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL2772366 1.00 TSHR (0.44) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL2772125 1.00 TSHR (0.44) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL2773433 1.00 TSHR (0.44) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL7060888 1.00 TSHR (0.44) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL7971333 0.92 TSHR (0.52) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL2774395 0.92 TSHR (0.52) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL7973573 0.92 TSHR (0.52) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL7969980 0.92 TSHR (0.52) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL2770246 0.92 TSHR (0.52) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL7969847 0.92 TSHR (0.52) TSHRCYP2D6CYP3A4CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed