SCHEMBL20204815

SCHEMBL20204815

Cc1cc(C)c(C)c(OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR7 P34969 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RIPK1 Q13546 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20201732 0.82 DCPS (0.38) RIPK1
SCHEMBL20201734 0.82 KMO (0.39) RIPK1
SCHEMBL14943724 0.79 HTR1A (0.42) HTR1AALDH1A1KDM4EMAPTRIPK1
SCHEMBL16662423 0.78 TSHR (0.47) POLBL3MBTL1HPGDALDH1A1KDM4E
SCHEMBL14315390 0.77 HPGD (0.62) HTR1APOLBL3MBTL1HPGDALDH1A1
SCHEMBL816186 0.76 RIPK1 (0.36) HPGDRIPK1
SCHEMBL20201736 0.75 DCPS (0.38) RIPK1
SCHEMBL10753281 0.74 ALDH1A1 (0.47) HTR1APOLBL3MBTL1HPGDALDH1A1
SCHEMBL14877969 0.73 KMT2A (0.43) HTR1AHPGDALDH1A1KDM4EMAPT
SCHEMBL20201737 0.73 CNR2 (0.40)

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed