SCHEMBL5294802

SCHEMBL5294802

CCOC(=O)[C@H]1CC1c1ccc(C(C)(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.42
CYP2C19 P33261 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAPK1 P28482 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5287446 0.85 MEN1 (0.40) MEN1KMT2ACYP2C19CA12CA1
SCHEMBL1474655 0.85 MAPT (0.45) MEN1KMT2ACYP2C19CA12CA1
SCHEMBL15669103 0.83 DPP4 (0.44) DPP4CA12CA1CA2CA9
SCHEMBL2141354 0.82 HTR2A (0.47) MEN1KMT2ADPP4CA12CA1
SCHEMBL13043472 0.82 DPP4 (0.46) DPP4CYP2C19CA12CA1CA2
SCHEMBL24844929 0.81 CA12 (0.45) MEN1KMT2ADPP4CA12CA1
SCHEMBL24844861 0.80 CYP4F2 (0.50) MEN1KMT2ADPP4CA12CA1
SCHEMBL1833981 0.79 SLC6A2 (0.50) MEN1KMT2ACYP2C19SMN1; SMN2POLB
SCHEMBL24845024 0.78 CA12 (0.39) MEN1KMT2ADPP4CA12CA1
SCHEMBL1474885 0.77 KMT2A (0.37) MEN1KMT2ACYP2C19CA12CA1

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
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO disclosed