SCHEMBL9306566

SCHEMBL9306566

Cc1ccc(C(C(=O)C(c2ccccc2)c2ccc(C)cc2C)c2ccccc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CACNA2D1 P54289 4/20 0.47
CACNA1B Q00975 4/20 0.47
CACNB1 Q02641 4/20 0.47
CACNA1C Q13936 2/20 0.47
CACNA1G O43497 1/20 0.47
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
ATM Q13315 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL14677603 0.90 KMT2A (0.48) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL31413334 0.85 TYR (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31413333 0.85 KMT2A (0.57) KMT2AMEN1CACNA1CALDH1A1SMN1; SMN2
SCHEMBL7073828 0.82 ACP3 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7864024 0.80 MEN1 (0.44) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL7073016 0.77 CNR1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7076176 0.77 ACP3 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4273855 0.77 MLKL (0.47) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL6229251 0.76 CACNA2D1 (0.43) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL11410686 0.76 CACNA2D1 (0.43) KMT2AMEN1CACNA2D1CACNA1BCACNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 US claimed
US-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 US disclosed