SCHEMBL11364643

SCHEMBL11364643

O=C(NC(Cc1ccccc1)c1ccc[nH]1)c1cccc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HTR4 Q13639 4/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
CNR1 P21554 1/20 0.37

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
Phosphoric Acid SCHEMBL11265110 0.97 CTNNB1 (0.42) CTNNB1WNT3AALDH1A1MAPTHTT
SCHEMBL11356296 0.86 HTR4 (0.45) CTNNB1WNT3AALDH1A1HTR4HDAC3
Hydrochloric Acid SCHEMBL11265733 0.85 HTR4 (0.44) CTNNB1WNT3AHTR4HDAC3HDAC4
SCHEMBL11265610 0.82 HDAC3 (0.43) CTNNB1WNT3AALDH1A1HTR4HDAC3
Water SCHEMBL11269892 0.81 HDAC3 (0.42) CTNNB1WNT3AALDH1A1HTR4HDAC3
SCHEMBL11273604 0.80 SSTR4 (0.42) CTNNB1WNT3AHTR4HDAC3HDAC4
Phosphoric Acid SCHEMBL11259901 0.80 HDAC3 (0.41) CTNNB1WNT3AALDH1A1HTR4HDAC3
SCHEMBL11364002 0.80 ALDH1A1 (0.38) ALDH1A1MAPTHTTSMN1; SMN2
Phosphoric Acid SCHEMBL11257055 0.78 ALDH1A1 (0.37) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL18261146 0.71 HPGDS (0.44) ALDH1A1MAPTMRGPRX1

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