SCHEMBL27534883

SCHEMBL27534883

O=C(O)C(C(=O)Nc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
ATM Q13315 3/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
HSP90AA1 P07900 2/20 0.64
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GPR55 Q9Y2T6 2/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7555674 0.86 POLB (0.61) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL6826852 0.86 GAA (0.60) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL12957588 0.83 GAA (0.57) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL2098567 0.80 TDP1 (0.56) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL9578308 0.80 TDP1 (0.56) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL11452160 0.79 CYP1A2 (0.64) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL1086017 0.78 GAA (0.64) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL11257733 0.78 ATM (1.00) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL14890948 0.78 GAA (0.64) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL11251550 0.78 GAA (0.64) GAAATMRAB9ANPC1HSP90AA1

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-1264286-A Hair colouring compositions and their use PROCTER & GAMBLE (US) 2000-08-23 CN disclosed