SCHEMBL27770546

SCHEMBL27770546

[CH2]c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.73
CES2 O00748 2/20 0.61
CNR1 P21554 1/20 0.52
CNR2 P34972 3/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ADORA1 P30542 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
P2RX1 P51575 1/20 0.49
VNN1 O95497 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL2941622 0.88 SRD5A2 (0.81) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL1237189 0.88 SRD5A2 (0.79) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL1044812 0.86 SRD5A2 (0.83) SRD5A2CES2CNR1CNR2LMNA
SCHEMBL7486845 0.85 SRD5A2 (0.76) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL4979512 0.83 SRD5A2 (0.73) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL28565479 0.83 SRD5A2 (0.73) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL17894214 0.83 SRD5A2 (0.73) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL8642093 0.82 SRD5A2 (0.68) SRD5A2CES2CNR2MEN1KMT2A
Propene SCHEMBL28144333 0.81 SRD5A2 (0.69) SRD5A2CES2CNR1CNR2MEN1
SCHEMBL5687867 0.80 SRD5A2 (0.69) SRD5A2CES2CNR1CNR2MEN1

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed