SCHEMBL7528264

SCHEMBL7528264

CCN(CC)Cc1ccccc1[C]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL29137655 0.81 TSHR (0.44) TSHRMAPTHSD17B10KDM4EMEN1
SCHEMBL7292120 0.80 SLC6A4 (0.43) TSHRHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL535892 0.79 GABRA1 (0.45) MAPTALDH1A1CYP2D6L3MBTL1GABRA1
SCHEMBL7768256 0.79 TSHR (0.57) TSHRMAPTHSD17B10KDM4EMEN1
SCHEMBL31153347 0.79 TSHR (0.57) TSHRMAPTHSD17B10KDM4EMEN1
SCHEMBL13469121 0.77 TSHR (0.52) TSHRMAPTHSD17B10KDM4EMEN1
SCHEMBL910448 0.74 DAO (0.38) MAPTHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL3021179 0.73 TRPA1 (0.35) TSHRALDH1A1CYP1A2GABRA1GABRB2
SCHEMBL12677859 0.71 MAPT (0.70) TSHRMAPTHSD17B10KDM4EMEN1
SCHEMBL26686946 0.71 TSHR (0.50) TSHRMAPTHSD17B10KDM4EMEN1

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
EP-1187847-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-20 EP disclosed
WO-2001002427-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 WO disclosed