SCHEMBL8995973

SCHEMBL8995973

Cc1ccccc1C(=O)OC(C)C[N+](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.53
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TSHR P16473 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
TBXA2R P21731 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP2C9 P11712 1/20 0.46
GALR3 O60755 1/20 0.46
BLM P54132 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
SCN1A P35498 1/20 0.44

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
SCHEMBL2408720 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ETSHRMAPTADRB2
SCHEMBL14690195 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ETSHRMAPTADRB2
SCHEMBL13328208 0.82 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ETSHRMAPTADRB2
SCHEMBL15110945 0.82 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ETSHRMAPTADRB2
SCHEMBL2838593 0.81 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ETSHRMAPTADRB2
SCHEMBL14883561 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL17797889 0.79 ALDH1A1 (0.62) SMN1; SMN2KDM4ETSHRMAPTADRB2
Iodide SCHEMBL14876679 0.79 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL16353031 0.79 APOBEC3A (0.55) SMN1; SMN2APOBEC3AAPOBEC3GTSHRCHRM2
SCHEMBL277670 0.78 NPC1 (0.56) SMN1; SMN2KDM4EMAPTCYP2C9ADRB2

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
EP-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP disclosed
EP-0572986-A1 Assay for serum cholinesterase Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 EP disclosed