SCHEMBL7790462

SCHEMBL7790462

ClC[CH]c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
MAPT P10636 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AMY1A P0DUB6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 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
SCHEMBL3397548 0.82 TDP1 (0.56) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL10688991 0.78 TDP1 (0.52) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL10688994 0.78 TDP1 (0.52) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL8866182 0.77 TDP1 (0.50) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL5623488 0.77 TDP1 (0.50) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL2097650 0.75 TDP1 (0.65) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL436853 0.75 TDP1 (0.48) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL8580636 0.73 TDP1 (0.62) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL10948851 0.72 TDP1 (0.46) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL7503380 0.71 TDP1 (0.60) TDP1TP53GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965256-A ENHANCED DURATION OF ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US claimed
CN-109574797-A A kind of preparation method of chirality benzylalcohol 上海彩迩文生化科技有限公司 2019-04-05 CN disclosed
EP-0763513-B1 Production of optically active 2-halo-1-(substituted phenyl)-ethanol and substituted styrene oxide NIHON NOHYAKU CO LTD (JP) 2001-11-14 EP disclosed
EP-1026135-A1 Production of optically active 2-halo-1-(substituted phenyl)-ethanol and substituted styrene oxide Nihon Nohyaku Co., Ltd. (JP) 2000-08-09 EP disclosed
US-5981807-A REACTING A HALO-SUBSTITUTED PHENYLETHANOL WITH PHTHALIC ANHYDRIDE, PERFORMING OPTICAL RESOLUTION ON THE RESULTING COMPOUND USING AN OPTICALLY ACTIVE ORGANIC AMINE AS A RESOLVING AGENT, PERFORMING HYDROLYSIS OR ALCOHOLYSIS NIHON NOHYAKU CO., LTD. (JP) 1999-11-09 US disclosed
US-5756862-A RACEMIZATION WITH ACID CATALYST NIHON NOHYAKU CO., LTD. (JP) 1998-05-26 US disclosed
EP-0763513-A2 Production of optically active 2-halo-1-(substituted phenyl)-ethanol and substituted styrene oxide Nihon Nohyaku Co., Ltd. (JP) 1997-03-19 EP disclosed