SCHEMBL11257320

SCHEMBL11257320

O=C(Cl)c1ccc(Cl)c2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.37
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
PARP1 P09874 1/20 0.33
KMT2A Q03164 2/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9388924 0.85 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHSD17B10NOTUM
SCHEMBL15502345 0.79 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL10436242 0.78 HTR2A (0.39) LMNANOTUM
SCHEMBL13385015 0.78 SMN1; SMN2 (0.41) KDM4EALDH1A1LMNAHSD17B10NOTUM
SCHEMBL11271758 0.75 KDM4E (0.73) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL11259606 0.73 LMNA (0.57) KDM4EALDH1A1LMNARAB9AKMT2A
SCHEMBL13385014 0.73 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL12565681 0.73 KDM4E (0.36) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL1020885 0.72 CTNNB1 (0.52) KDM4EPARP1
SCHEMBL11369549 0.72 KDM4E (0.51) KDM4EALDH1A1LMNAHSD17B10NPC1

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