SCHEMBL11468485

SCHEMBL11468485

COC(=O)C(C)(O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM3 P20309 9/20 0.40
CHRM2 P08172 8/20 0.40
CHRM1 P11229 6/20 0.40
CHRM4 P08173 2/20 0.40
SRC P12931 1/20 0.40
TSHR P16473 2/20 0.39
KCNN4 O15554 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
APLNR P35414 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CHRM5 P08912 1/20 0.38
TSPO P30536 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL7374418 0.84 NPSR1 (0.41) RAB9APOLBGAASMN1; SMN2CHRM3
SCHEMBL826276 0.84 CHRM3 (0.49) RAB9APOLBGAASMN1; SMN2CHRM3
SCHEMBL2654268 0.84 ALDH1A1 (0.41) RAB9APOLBGAASMN1; SMN2CHRM3
SCHEMBL4636677 0.84 CHRM3 (0.48) RAB9APOLBGAASMN1; SMN2CHRM3
SCHEMBL2130216 0.81 PIN1 (0.44) POLBGAASMN1; SMN2CHRM3CHRM2
SCHEMBL27740728 0.81 MMP1 (0.40) POLBGAASMN1; SMN2CHRM3CHRM2
SCHEMBL11881887 0.79 ALDH1A1 (0.39) RAB9APOLBGAASMN1; SMN2CHRM3
SCHEMBL1827117 0.79 DAO (0.42) SMN1; SMN2CHRM3CHRM2CHRM1TSHR
SCHEMBL7371709 0.79 KCNN4 (0.41) RAB9APOLBGAASMN1; SMN2CHRM3
SCHEMBL28025273 0.79 CHRM3 (0.51) RAB9APOLBGAASMN1; SMN2CHRM3

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
US-4208423-A Anticholinergic bronchodilators SYNTEX INC. (US) 1980-06-17 US disclosed
EP-0012071-A1 Azoniaspiro derivatives, process for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1980-06-11 EP disclosed