SCHEMBL20629591

SCHEMBL20629591

CC(=N)C(C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
EPHX1 P07099 3/20 0.34
TP53 P04637 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 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
SCHEMBL19790783 0.92
SCHEMBL3328061 0.79 SHBG (0.40) SHBGEPHX1TP53CA12CA1
Hydrochloric Acid SCHEMBL4780511 0.76 EPHX1 (0.41) SHBGEPHX1TP53CA12CA1
SCHEMBL9592578 0.76 SHBG (0.36) SHBGEPHX1TP53CA12CA1
SCHEMBL12913433 0.75 EPHX1 (0.44) SHBGEPHX1CA12CA1CA2
SCHEMBL7143320 0.75 EPHX1 (0.44) SHBGEPHX1CA12CA1CA2
SCHEMBL11606325 0.75 EPHX1 (0.44) SHBGEPHX1CA12CA1CA2
SCHEMBL4589428 0.73 EPHX1 (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL8917502 0.73 EPHX1 (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL9141180 0.72 SHBG (0.39) SHBGEPHX1TP53CA12CA1

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
EP-2958897-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2019-01-09 EP disclosed