SCHEMBL11269121

SCHEMBL11269121

[NH]c1cc2c(c(C(=O)O)c1[NH])OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.34
PLK1 P53350 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TSHR P16473 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL9386246 0.72 SMN1; SMN2 (0.47) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL11267151 0.72 ALDH1A1 (0.41) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL27253937 0.71 SMN1; SMN2 (0.46) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL29664384 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL27253938 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL24328780 0.67 MAPT (0.42) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31697147 0.67 SMN1; SMN2 (0.45) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL22208563 0.67 SMN1; SMN2 (0.45) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL29054677 0.67 KDM4E (0.44) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL11270162 0.67 DPP4 (0.46) KDM4EALDH1A1POLBL3MBTL1HPGD

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