SCHEMBL11270751

SCHEMBL11270751

CCS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.37
HPGD P15428 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSD17B10 Q99714 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 1/20 0.35
HTT P42858 1/20 0.35
MEP1B Q16820 1/20 0.35

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
SCHEMBL10369313 0.94 SMN1; SMN2 (0.43) ALDH1A1RAB9APKMMEN1KMT2A
SCHEMBL11265601 0.87 PKM (0.35) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11063403 0.85 BRD4 (0.45) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11266948 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL11152798 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL11062680 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL19186690 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11264405 0.82 MEN1 (0.38) HPGDNPC1RAB9ANPSR1MEN1
SCHEMBL11151891 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11259209 0.81 MEN1 (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A

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