SCHEMBL31729328

SCHEMBL31729328

CC(O)(CCCCO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 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
SCHEMBL3190448 0.92 SIGMAR1 (0.47) SIGMAR1CYP2C19LMNASLC6A4SLC6A3
SCHEMBL4448865 0.88 CYP2C9 (0.41)
SCHEMBL3200007 0.87 CYP2C19 (0.50) SIGMAR1CYP2C19LMNASLC6A4SLC6A3
SCHEMBL957143 0.85 CYP2C19 (0.44) CYP2C19LMNASLC6A4SLC6A3SMN1; SMN2
SCHEMBL10441612 0.84 SIGMAR1 (0.46) SIGMAR1CYP2C19LMNA
SCHEMBL3190736 0.83 CYP2C19 (0.48) CYP2C19LMNASLC6A4SLC6A3SMN1; SMN2
SCHEMBL1581793 0.82 SIGMAR1 (0.45) SIGMAR1CYP2C19
SCHEMBL7157124 0.82 SIGMAR1 (0.45) SIGMAR1CYP2C19
SCHEMBL500650 0.82 SIGMAR1 (0.45) SIGMAR1CYP2C19
SCHEMBL10441856 0.82 SIGMAR1 (0.45) SIGMAR1CYP2C19

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
WO-2025235236-A1 COATING COMPOSITIONS BASED ON POLYESTERS MODIFIED WITH POLYSILOXANES FOR COIL AND EXTRUSION COATING METHODS PPG INDUSTRIES OHIO, INC. (US) 2025-11-13 WO disclosed