SCHEMBL7953010

SCHEMBL7953010

Clc1[c]c2[nH]c3ccccc3c2cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GPR3 P46089 2/20 0.48
HSD17B10 Q99714 2/20 0.48
AHR P35869 1/20 0.42
KIF11 P52732 8/20 0.40
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRG1 Q8N1C3 3/20 0.40
GABRG3 Q99928 3/20 0.40

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
SCHEMBL23212272 0.77 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL1426545 0.77 KIF11 (0.48) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL11597870 0.77 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL8482653 0.77 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL10890967 0.77 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL1323291 0.74 ESR1 (0.47) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL328893 0.73 ALDH1A1 (0.43) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL5216846 0.73 KIF11 (0.49) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL6897737 0.73 ALDH1A1 (0.45) ALDH1A1GPR3HSD17B10AHRKIF11
SCHEMBL9010052 0.73 KIF11 (0.49) ALDH1A1GPR3HSD17B10AHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123739-B1 ALPHA-SUBSTITUTED-ALKYLARYLKETALS PARTICULARLY USEFUL FOR PREPARING ALPHA-ARYLALKANOIC ACIDS ZAMBON S.p.A. (IT) 1987-11-19 EP claimed
US-4535166-A Process for preparing alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1985-08-13 US claimed
US-6268526-B1 MIXTURE FORMED FROM AN AROMATIC SUBSTITUTED ALCOHOL AND/OR AN AROMATIC SUBSTITUTED ALKYL HALIDE, AND A COPPER-FREE PALLADIUM CATALYST IS CARBONYLATED WITH CARBON MONOXIDE TO PRODUCE ALPHA-SUBSTITUTED CARBOXYLIC ACID OR ESTER ALBEMARLE CORPORATION 2001-07-31 US disclosed
WO-2000035849-A1 PALLADIUM CATALYZED CARBONYLATION PROCESS ALBEMARLE CORPORATION (US) 2000-06-22 WO disclosed
EP-0152004-B1 PROCESS FOR PREPARING ALPHA-ARYL-ALKANOIC ACIDS ZAMBON S.p.A. (IT) 1988-05-25 EP disclosed
EP-0153701-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ALPHA-ARYLALKANOIC ACIDS ZAMBON S.p.A. (IT) 1988-04-27 EP disclosed
EP-0123739-B1 ALPHA-SUBSTITUTED-ALKYLARYLKETALS PARTICULARLY USEFUL FOR PREPARING ALPHA-ARYLALKANOIC ACIDS ZAMBON S.p.A. (IT) 1987-11-19 EP disclosed
EP-0151817-B1 PROCESS FOR PREPARING ALPHA-ARYLALKANOIC ACIDS ZAMBON S.p.A. (IT) 1986-12-03 EP disclosed
US-4620031-A Process for preparing alpha-aryl-alkanoic acids ZAMBON S.P.A. (IT) 1986-10-28 US disclosed
US-4618697-A Process for preparing alpha-arylalkanoic acids ZAMBON SPA (IT) 1986-10-21 US disclosed
US-4582930-A Process for the preparation of optically active alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1986-04-15 US disclosed
US-4579968-A Process for the preparation of optically active alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1986-04-01 US disclosed
EP-0101124-B1 PROCESS FOR PREPARING ALPHA ARYLALKANOIC ACIDS ZAMBON S.p.A. (IT) 1986-01-29 EP disclosed
EP-0154853-A1 Process for the preparation of optically active alpha-arylalkanoic acids ZAMBON S.p.A. (IT) 1985-09-18 EP disclosed
US-4537979-A Alpha-substituted-alkylarylketals particularly useful for preparing alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1985-08-27 US disclosed
EP-0151817-A1 Process for preparing alpha-arylalkanoic acids ZAMBON S.p.A. (IT) 1985-08-21 EP disclosed
US-4535166-A Process for preparing alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1985-08-13 US disclosed
EP-0101124-A1 Process for preparing alpha arylalkanoic acids ZAMBON S.p.A. (IT) 1984-02-22 EP disclosed