SCHEMBL25908477

SCHEMBL25908477

CCOC(=O)[C@](O)(c1cccs1)c1ccc(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.42
CHRM2 P08172 12/20 0.42
CHRM1 P11229 11/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.40
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2C P18825 2/20 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
SCHEMBL2289504 0.87 CHRM3 (0.46) CHRM3CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL26529315 0.83 CHRM3 (0.42) CHRM3CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL5399482 0.83 CHRM3 (0.51) CHRM3CHRM2CHRM1ALDH1A1MAPT
SCHEMBL25908533 0.78 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908478 0.78 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16053656 0.76 CHRM3 (0.47) CHRM3CHRM2CHRM1ALDH1A1HPGD
SCHEMBL25908761 0.75 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908710 0.75 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2130216 0.74 PIN1 (0.44) CHRM3CHRM2CHRM1ALDH1A1HPGD
SCHEMBL11430256 0.73 ALDH1A1 (0.49) CHRM3CHRM2CHRM1ALDH1A1MAPT

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-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed