SCHEMBL16499005

SCHEMBL16499005

COc1ccc(C(=O)C2=CC(C)(C)CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ PARP4 Q9UKK3 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL51509 0.71 RXFP1 (0.79) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL9418310 0.71 RXFP1 (0.79) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL6641316 0.70 OAT (0.37) LMNAALDH1A1CYP1A2BLM
SCHEMBL14040096 0.68 CES2 (0.52) HPGDKMT2AMEN1MAPTLMNA
Ethyne SCHEMBL8195983 0.67 RXFP1 (0.73) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL17236569 0.67 MAPT (0.51) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL14207854 0.67 HPGD (0.47) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL24538828 0.66 PARP10 (0.70) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL10494485 0.66 PARP10 (0.70) HPGDKMT2AMEN1MAPTMAPK1
SCHEMBL21246920 0.66 RXFP1 (0.70) HPGDKMT2AMEN1MAPTMAPK1

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-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 — — WO disclosed
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