SCHEMBL11262018

SCHEMBL11262018

O=C(Cl)c1cc(Cl)cc2c1OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
PLK1 P53350 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL3164382 0.86 AKR1C4 (0.43) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1748557 0.84 KMT2A (0.46) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL27703748 0.80 KDM4E (0.52) TDP1MAPTMEN1KMT2AHDAC3
SCHEMBL855752 0.79 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL24776200 0.77 ALDH1A1 (0.34) TDP1MAPTNPC1RAB9APLK1
SCHEMBL11270404 0.76 ALDH1A1 (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL9868892 0.75 HTR3A (0.43) HTR3A
SCHEMBL857117 0.74 ALDH1A1 (0.47) TDP1MAPTNPC1RAB9APLK1
SCHEMBL11265601 0.73 PKM (0.35) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL263819 0.73 MEN1 (0.41) MAPTMAOBMEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed