SCHEMBL9702873

SCHEMBL9702873

CC(C)=CCOC(=O)C(C(N)=S)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 4/20 0.38
TSHR P16473 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
ADRA2A P08913 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
STAT6 P42226 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MMP1 P03956 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
SCHEMBL9703951 0.90 TRPV1 (0.47) ALDH1A1TRPV1
SCHEMBL9703944 0.90 TRPV1 (0.47) ALDH1A1TRPV1
SCHEMBL9703979 0.85 MEN1 (0.38) MEN1GAAKMT2ASMN1; SMN2CYP3A4
SCHEMBL9702126 0.83 SMN1; SMN2 (0.57) MEN1GAAKMT2ASMN1; SMN2CYP3A4
SCHEMBL9702167 0.82 SMN1; SMN2 (0.40) MEN1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL9703934 0.81 ALDH1A1 (0.41) MEN1GAAKMT2ASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL10518451 0.79 SMN1; SMN2 (0.40) MEN1GAAKMT2ASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL10522142 0.78 HTT (0.42) MEN1GAAKMT2ASMN1; SMN2CYP3A4
SCHEMBL10688378 0.77 TRPV1 (0.46) ALDH1A1TRPV1
SCHEMBL9704877 0.77 TRPV1 (0.46) ALDH1A1TRPV1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US claimed
EP-0223512-B1 2-PYRIDYLACETIC ACID DERIVATIVE, PREPARATION PROCESS THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUNTORY LIMITED (JP) 1992-07-08 EP disclosed
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US disclosed
EP-0223512-A2 2-Pyridylacetic acid derivative, preparation process thereof and pharmaceutical composition containing the same SUNTORY LIMITED (JP) 1987-05-27 EP disclosed