SCHEMBL11261328

SCHEMBL11261328

CC1CCOc2c(cccc2C(=O)O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
PARP1 P09874 4/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR4 Q13639 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL251991 0.77 KDM4E (0.56) CTNNB1WNT3APARP1HDAC3HDAC4
SCHEMBL30220126 0.77 KDM4E (0.56) CTNNB1WNT3APARP1HDAC3HDAC4
SCHEMBL7636369 0.76 PARP1 (0.43) PARP1TDP1KDM4ECYP2C9
SCHEMBL1672057 0.74 KDM4E (0.49) CTNNB1WNT3APARP1HDAC3HDAC4
SCHEMBL27431227 0.73 CYP11B1 (0.42) CYP11B1CYP11B2CYP2C9
SCHEMBL13266254 0.72 TDP1 (0.46) PARP1TDP1AKR1B1CYP2C9
SCHEMBL6002699 0.72 CYP11B1 (0.56) PARP1CYP11B1CYP11B2
SCHEMBL24752130 0.71 KDM4C (0.35) KDM4E
SCHEMBL19973629 0.71 MAP3K14 (0.41) PARP1CYP11B1CYP11B2MAP3K14CYP2C9
SCHEMBL29442138 0.71 KDM4C (0.52) CTNNB1WNT3AKDM4E

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