SCHEMBL9856867

SCHEMBL9856867

CCc1ccc(C(=O)c2ccc(C)cc2)c(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
AKR1C3 P42330 1/20 0.45
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
PLK1 P53350 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.41

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
SCHEMBL11233529 0.85 TP53 (0.47) SRD5A2ALDH1A1LMNAAKR1C3MAPT
SCHEMBL11527296 0.82 SRD5A2 (0.50) SRD5A2ALDH1A1LMNAAKR1C3MAPT
SCHEMBL28409934 0.81 AKR1C3 (0.49) ALDH1A1AKR1C3MAPTL3MBTL1GAA
SCHEMBL12595805 0.80 ALDH1A1 (0.70) SRD5A2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL9242999 0.80 ALDH1A1 (0.70) SRD5A2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL11512695 0.79 SRD5A2 (0.44) SRD5A2ALDH1A1LMNAAKR1C3MAPT
SCHEMBL18661481 0.79 SRD5A2 (0.73) SRD5A2ALDH1A1LMNAAKR1C3MAPT
SCHEMBL12595807 0.79 SRD5A2 (0.73) SRD5A2ALDH1A1LMNAAKR1C3MAPT
SCHEMBL12595804 0.79 SRD5A2 (0.73) SRD5A2ALDH1A1LMNAAKR1C3MAPT
SCHEMBL12595798 0.79 SRD5A2 (0.73) SRD5A2ALDH1A1LMNAAKR1C3MAPT

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-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed