SCHEMBL9019171

SCHEMBL9019171

CCCCCc1cc(C(=O)O)cn1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.42
PLA2G2A P14555 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PLA2G4B P0C869 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
SCHEMBL9019256 0.80 RARB (0.45) RARBPLA2G2AMEN1ALDH1A1RARA
SCHEMBL9150335 0.76 RARB (0.44) RARBPLA2G2AMEN1ALDH1A1RARA
Hexane SCHEMBL29263834 0.68 PLA2G2A (0.62) RARBPLA2G2AMEN1ALDH1A1RARA
Hexane SCHEMBL28903581 0.66 PLA2G2A (0.60) RARBPLA2G2AMEN1ALDH1A1RARA
SCHEMBL27782228 0.66 GPR84 (0.61) RARBPLA2G2AMEN1ALDH1A1RARA
SCHEMBL8413501 0.66 RARB (0.61) RARBPLA2G2AMEN1ALDH1A1RARA
SCHEMBL6900293 0.66 L3MBTL1 (0.38) RARBPLA2G2AMEN1KMT2AKDM5A
SCHEMBL29017224 0.66 PPARA (0.55) RARBPLA2G2APPARGPPARAPLA2G4B
SCHEMBL17060014 0.65 RARB (0.62) RARBPLA2G2AMEN1ALDH1A1RARA
SCHEMBL14118049 0.65 RARB (0.62) RARBPLA2G2AMEN1ALDH1A1RARA

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
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed