SCHEMBL8640985

SCHEMBL8640985

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
MMP8 P22894 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
FDPS P14324 1/20 0.30
UTS2R Q9UKP6 1/20 0.30

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
SCHEMBL8147939 0.86 TRPA1 (0.38) LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8148412 0.86 TAAR1 (0.33) ALDH1A1TAAR1TDP1
SCHEMBL8154374 0.85 BCHE (0.39) LMNAKMT2AMEN1
SCHEMBL8148576 0.74 GABRA1 (0.34) LMNAKMT2ACA1TSHRTDP1
SCHEMBL8148760 0.72 LMNA (0.34) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL8146811 0.72 TRPA1 (0.38) LMNAALDH1A1SMN1; SMN2
SCHEMBL8154407 0.71 TRPA1 (0.37) LMNAKMT2AMEN1
SCHEMBL8140900 0.70 POLB (0.31)
SCHEMBL8148753 0.70 LMNA (0.33) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL8149025 0.70 SRC (0.42) TAAR1

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