SCHEMBL1012858

SCHEMBL1012858

CC[C@@]12CC[C@@H](CC(=O)C1C(=O)O)N2C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTR2C P28335 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.39
GLA P06280 1/20 0.38
AGTR2 P50052 1/20 0.38
PREP P48147 1/20 0.37
CCR5 P51681 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL14609981 0.70 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL5118035 0.70 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL1164489 0.70 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL26113894 0.69 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL5122959 0.69 HTR2C (0.45) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL204928 0.69 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL26115372 0.69 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL5122115 0.69 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL7243880 0.68 AGTR2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL5127061 0.68 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CGAA

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-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed