SCHEMBL27944064

SCHEMBL27944064

COc1ccc(C(=O)c2ccc(C[C](C)C)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.58
▸ VNN1 O95497 8/20 0.53
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45

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
SCHEMBL27954005 0.79 ALDH1A1 (0.38) RXFP1VNN1LMNAMEN1MAPT
SCHEMBL15067149 0.77 RXFP1 (0.52) RXFP1VNN1LMNANPSR1MEN1
SCHEMBL15067437 0.75 RXFP1 (0.65) RXFP1VNN1LMNANPSR1MEN1
SCHEMBL9418310 0.75 RXFP1 (0.79) RXFP1LMNANPSR1MEN1MAPT
SCHEMBL51509 0.75 RXFP1 (0.79) RXFP1LMNANPSR1MEN1MAPT
SCHEMBL4099287 0.74 ALDH1A1 (0.43) LMNAMAPTRAB9AHPGDALDH1A1
SCHEMBL9963642 0.71 MAPT (0.68) RXFP1LMNANPSR1MEN1MAPT
SCHEMBL10426837 0.71 MAPT (0.62) RXFP1LMNANPSR1MEN1MAPT
SCHEMBL2435333 0.71 KDM4E (0.50) LMNAMAPTHPGDALDH1A1CA1
Ethyne SCHEMBL8195983 0.71 RXFP1 (0.73) RXFP1LMNANPSR1MEN1MAPT

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-103702665-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2014-04-02 — — CN disclosed
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