SCHEMBL14933935

SCHEMBL14933935

COC(=O)c1ccc(OC(F)(F)F)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
MGLL Q99685 1/20 0.48
MAPT P10636 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
ALPL P05186 2/20 0.43
PDK2 Q15119 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL16335478 0.87 NOTUM (0.76) NOTUMMAPTMRGPRX4CA12CA1
SCHEMBL15670215 0.84 CA12 (0.51) NOTUMMAPTCA12CA1CA2
SCHEMBL14317068 0.84 MAPT (0.64) NOTUMMGLLMAPTMRGPRX4CA12
SCHEMBL7354789 0.84 XDH (0.59) NOTUMMAPTMRGPRX4CA12CA1
SCHEMBL8383581 0.83 EPHX2 (0.44) NOTUMALDH1A1KMT2APDK2L3MBTL1
SCHEMBL2590647 0.83 RAB9A (0.49) NOTUMMRGPRX4CA12CA1CA2
SCHEMBL7361708 0.83 USP2 (0.60) NOTUMMAPTMRGPRX4CA12CA1
SCHEMBL4314290 0.83 NOTUM (0.63) NOTUMMGLLMAPTMRGPRX4CA12
SCHEMBL9712610 0.82 EPHX2 (0.40) NOTUMEPHX2
SCHEMBL16371917 0.82 NOTUM (0.53) NOTUMMGLLMAPTMRGPRX4CA12

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-2013064231-A1 SEVEN-MEMBERED SULFONAMIDES AS MODULATORS OF RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORγ, NR1F3) PHENEX PHARMACEUTICALS AG (DE) 2013-05-10 WO disclosed