SCHEMBL9251599

SCHEMBL9251599

COc1ccc2cc(C(=O)Cl)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 3/20 0.56
MAOB P27338 2/20 0.56
SLC16A3 O15427 1/20 0.56
CA2 P00918 3/20 0.55
KDM4E B2RXH2 5/20 0.54
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
HSD17B10 Q99714 2/20 0.54
CA1 P00915 2/20 0.54
CA3 P07451 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA7 P43166 2/20 0.54
CA14 Q9ULX7 2/20 0.54
AKR1B1 P15121 1/20 0.54
CA5A P35218 1/20 0.54
MAPT P10636 1/20 0.52

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
SCHEMBL8311483 0.87 TAS1R3 (0.60) ALDH1A1HPGDGAACA2KDM4E
SCHEMBL178096 0.85 ALDH1A1 (0.66) CYP2D6ALDH1A1HPGDGAAMAOB
SCHEMBL1287537 0.85 ALDH1A1 (0.66) CYP2D6ALDH1A1HPGDGAAMAOB
SCHEMBL31367874 0.85 CYP2D6 (0.59) CYP2D6ALDH1A1HPGDGAAMAOB
Hydrochloric Acid SCHEMBL11747973 0.84 ALDH1A1 (0.64) CYP2D6ALDH1A1HPGDGAAMAOB
SCHEMBL4450673 0.84 KDM4E (0.67) CYP2D6ALDH1A1HPGDGAAMAOB
SCHEMBL6240000 0.81 CYP2D6 (0.70) CYP2D6ALDH1A1HPGDGAASLC16A3
SCHEMBL11829416 0.80 ALDH1A1 (0.76) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL16710581 0.80 CYP2D6 (0.57) CYP2D6ALDH1A1HPGDGAAMAOB
SCHEMBL11110472 0.80 HPGD (0.56) CYP2D6ALDH1A1HPGDGAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464856-A Arylmethylenyl derivatives of imidazolidinones useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1995-11-07 US disclosed
US-5306822-A Mono-, di- or tri-methoxyphenylmethylene-2-thioxo-4-oxazolidinone as antihistamines WARNER-LAMBERT COMPANY (US) 1994-04-26 US disclosed
US-5208250-A Known and selected novel arylmethylenyl derivatives of thiazolidinones, imidazolidinones and oxazolidinones useful as antiallergy agents and anti-inflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
EP-0343643-A2 Arylmethylenyl derivatives of thiazolidnones, imidazolidinones and oxazolidinones useful as antiallergy agents and antiinflamatory agents WARNER-LAMBERT COMPANY (US) 1989-11-29 EP disclosed
US-4542222-A Benzimidazoles CIBA-CEIGY CORPORATION (US) 1985-09-17 US disclosed
US-4360679-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1982-11-23 US disclosed
US-4250317-A OPTICAL BRIGHTENERS; FLUORESCENT DYES; TEXTILES; DETERGENTS CIBA-GEIGY CORPORATION (US) 1981-02-10 US disclosed
US-4146725-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-03-27 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed