SCHEMBL11200738

SCHEMBL11200738

CCOC(=O)C1(C)C=CN=C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
OPRM1 P35372 5/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL19690491 0.69 SMN1; SMN2 (0.40) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL9416753 0.68 ALDH1A1 (0.49) TSHRSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL26862448 0.68 ALDH1A1 (0.45) TSHRSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL27535372 0.67 GAA (0.40) TSHRALDH1A1NPC1RAB9AGAA
SCHEMBL9416778 0.66 ALDH1A1 (0.46) TSHRSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL30183273 0.66 TSHR (0.40) TSHRSMN1; SMN2OPRM1OPRD1OPRK1
Biphenyl SCHEMBL5571790 0.65 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28757628 0.65 TSHR (0.41) TSHRSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL25401575 0.64 ITGB1 (0.48) SMN1; SMN2OPRM1NPC1RAB9AKDM4E
SCHEMBL6315068 0.64 OPRM1 (0.40) TSHRSMN1; SMN2OPRM1OPRD1OPRK1

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-0022087-B1 STABILIZERS FOR THERMOPLASTS THAT CONTAIN CHLORINE CIBA-GEIGY AG (CH) 1983-11-23 EP claimed