SCHEMBL500538

SCHEMBL500538

CC(CN1CCSCC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.39
LMNA P02545 3/20 0.37
PIK3CD O00329 1/20 0.37
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
APAF1 O14727 2/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.35
GABRR1 P24046 1/20 0.34

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
SCHEMBL1174390 0.85
SCHEMBL27619705 0.82 ALDH1A1 (0.41) ALDH1A1LMNAPIK3CDDPP4DPP8
SCHEMBL500486 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2LMNAPIK3CDCHRM2
SCHEMBL23886205 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2LMNAPIK3CDAPAF1
SCHEMBL23886340 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2LMNAPIK3CDAPAF1
SCHEMBL23886134 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2LMNAPIK3CDAPAF1
SCHEMBL499912 0.79 ALDH1A1 (0.63) ALDH1A1CYP1A2LMNACHRM2ADRA2B
Hydrochloric Acid SCHEMBL5087977 0.79 ALDH1A1 (0.69) ALDH1A1CYP1A2LMNACHRM2ADRA2B
Hydrochloric Acid SCHEMBL19815486 0.78 ALDH1A1 (0.67) ALDH1A1LMNACHRM2ADRA2BDRD3
SCHEMBL500091 0.76 ALDH1A1 (0.96) ALDH1A1LMNA

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-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed