SCHEMBL11356296

SCHEMBL11356296

CCC(NC(=O)c1cccc2c1OCCO2)c1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
MTNR1A P48039 2/20 0.39
PTGER3 P43115 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL11265733 0.99 HTR4 (0.44) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL11265610 0.96 HDAC3 (0.43) HTR4HDAC3HDAC4HDAC1HDAC7
Water SCHEMBL11269892 0.95 HDAC3 (0.42) HTR4HDAC3HDAC4HDAC1HDAC7
Phosphoric Acid SCHEMBL11259901 0.93 HDAC3 (0.41) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL11364643 0.86 CTNNB1 (0.44) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL11273604 0.85 SSTR4 (0.42) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL11265571 0.83 HTR4 (0.38) HTR4KDM4EALDH1A1LMNAHPGD
Phosphoric Acid SCHEMBL11265110 0.83 CTNNB1 (0.42) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL11265109 0.83 KDM4E (0.36) HTR4HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL11259264 0.83 HTR4 (0.37) HTR4KDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed