SCHEMBL9178962

SCHEMBL9178962

CC(=O)C1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.60
TDP2 O95551 2/20 0.60
HSP90AA1 P07900 2/20 0.59
HSP90AB1 P08238 1/20 0.59
RAB9A P51151 6/20 0.53
MAPT P10636 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
XBP1 P17861 1/20 0.53
MPI P34949 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 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
SCHEMBL5821846 0.82 APAF1 (0.58) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL11799339 0.82 APAF1 (0.58) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL25649144 0.82 APAF1 (0.58) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL30304915 0.81 APAF1 (0.62) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL28758923 0.79 APAF1 (0.60) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL27460293 0.79 HSP90AA1 (0.59) APAF1HSP90AA1HSP90AB1RAB9AMAPT
SCHEMBL30583758 0.79 HSP90AA1 (0.59) APAF1HSP90AA1HSP90AB1RAB9AMAPT
SCHEMBL16453655 0.79 APAF1 (0.60) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL29834814 0.79 APAF1 (0.60) APAF1TDP2HSP90AA1HSP90AB1RAB9A
SCHEMBL461648 0.77 APAF1 (1.00) APAF1TDP2RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498707-B1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent OREAL (FR) 1995-08-02 EP claimed
EP-0498707-A1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent L'OREAL (FR) 1992-08-12 EP claimed
CN-101687752-B Process for the preparation oftrans-2,3-disubstituted naphthoquinones LABORATORIO CHIMICO INT SPA 2013-01-30 CN disclosed
CN-101687752-A Process for the preparation oftrans-2,3-disubstituted naphthoquinones LABORATORIO CHIMICO INT SPA 2010-03-31 CN disclosed
EP-0498707-B1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent OREAL (FR) 1995-08-02 EP disclosed
US-5275626-A Hair dyes L'OREAL (FR) 1994-01-04 US disclosed
EP-0498707-A1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent L'OREAL (FR) 1992-08-12 EP disclosed