SCHEMBL11044684

SCHEMBL11044684

COc1ccc2c(c1)C(C)CC(=O)N2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.44
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6073564 0.79 LMNA (0.55) ALDH1A1MAPTGAAKDM4ECYP1A2
SCHEMBL1144467 0.75 HPGD (0.67) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL1144626 0.72 HPGD (0.71) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL27707082 0.71 ALDH1A1 (0.61) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11421675 0.70 ALDH1A1 (0.47) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL28243691 0.70 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL774049 0.70 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL3485977 0.70 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL9332619 0.68 ALDH1A1 (0.58) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL16494499 0.67 CACNA1G (0.52)

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
JP-59070671-A None JP disclosed
JP-S5970671-A ARYLCARBOSTYRYL DERIVATIVE FUJI PHOTO FILM CO LTD 1984-04-21 JP disclosed