SCHEMBL8639375

SCHEMBL8639375

Cc1ccc(C(C)C)c(C(CN(C)C)OP(O)(O)=S)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
THRB P10828 1/20 0.35
NPBWR1 P48145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL8639234 0.90 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1TRPA1LMNA
SCHEMBL8145643 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1TRPA1LMNA
SCHEMBL8642476 0.76 ALDH1A1 (0.34) ALDH1A1LMNASLC6A2SMN1; SMN2
SCHEMBL8146811 0.73 TRPA1 (0.38) ALDH1A1TRPA1LMNACHRM1SLC6A2
SCHEMBL8139371 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL8147911 0.72 TRPA1 (0.37) ALDH1A1TRPA1LMNACHRM1SLC6A2
SCHEMBL8639156 0.69 TRPA1 (0.40) ALDH1A1KDM4ETDP1TRPA1LMNA
SCHEMBL8645772 0.68 TRPA1 (0.36) TRPA1LMNA
SCHEMBL8147939 0.68 TRPA1 (0.38) ALDH1A1KDM4ETDP1TRPA1LMNA
SCHEMBL8147907 0.67 TRPA1 (0.34) ALDH1A1TRPA1LMNACHRM1SLC6A2

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
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed