SCHEMBL9965381

SCHEMBL9965381

CC(=O)N1CCC(C(=O)Nc2ccccc2Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
EPHX2 P34913 1/20 0.47
TRPV1 Q8NER1 4/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 1/20 0.44
TACR1 P25103 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL9965475 0.83 F10 (0.53) POLBUBE2MDCUN1D1RXFP1TACR1
SCHEMBL9965458 0.81 TP53 (0.49) POLBTRPV1HDAC3HDAC1HDAC2
SCHEMBL9965416 0.79 GAA (0.57) POLBEPHX2TRPV1UBE2MDCUN1D1
SCHEMBL9965417 0.72 EPHX2 (0.57) POLBEPHX2HDAC3HDAC1HDAC2
SCHEMBL2892697 0.72 KDM4E (0.55) POLBHDAC3HDAC1HDAC2MAPK8
SCHEMBL13735120 0.72 HDAC1 (0.65) POLBHDAC3HDAC1HDAC2MAPK8
SCHEMBL9965372 0.71 GAA (0.55) POLBEPHX2TRPV1UBE2MDCUN1D1
SCHEMBL18658132 0.71 MAPT (0.57) POLBHDAC3HDAC1HDAC2MAPT
SCHEMBL9965449 0.70 KDM4E (0.51) EPHX2UBE2MDCUN1D1MAPTTSHR
SCHEMBL9965450 0.70 ALDH1A1 (0.68) HDAC3HDAC1HDAC2MAPK8MAPK10

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed