SCHEMBL9003204

SCHEMBL9003204

CC(C)c1ccc2c(c1C(=O)C(=O)c1ccccc1)Cc1ccccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL2048994 0.76 ALDH1A1 (0.39) PTGS2OPRK1PDE4DLMNAALDH1A1
SCHEMBL1488973 0.73 HPGD (0.42) PTGS2OPRK1PDE4DGABRA1GABRB1
SCHEMBL11508549 0.73 ALDH1A1 (0.41) PTGS2OPRK1PDE4DLMNAALDH1A1
SCHEMBL11204698 0.72 PTGS2 (0.47) PTGS2OPRK1PDE4DLMNAALDH1A1
SCHEMBL11506251 0.72 ALDH1A1 (0.40) PTGS2OPRK1PDE4DLMNAALDH1A1
SCHEMBL11861960 0.72 ALDH1A1 (0.41) PTGS2OPRK1PDE4DLMNAALDH1A1
Benzophenone SCHEMBL28144118 0.71 ALDH1A1 (0.54) LMNAALDH1A1HPGDKMT2AMEN1
SCHEMBL11865034 0.70 ALDH1A1 (0.41) PTGS2OPRK1PDE4DLMNAALDH1A1
Benzophenone SCHEMBL28087563 0.70 ALDH1A1 (0.44) LMNAALDH1A1HPGDKMT2AMEN1
SCHEMBL11823612 0.70 ALDH1A1 (0.46) PTGS2OPRK1PDE4DLMNAALDH1A1

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
US-5565246-A THERMOGRAPHY BIOMETRIC IMAGING INC. 1996-10-15 US disclosed