SCHEMBL9717316

SCHEMBL9717316

CCC(C(=O)Br)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
KCNQ2 O43526 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 3/20 0.49
THRB P10828 1/20 0.49
KDM4A O75164 1/20 0.49
BCHE P06276 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL262750 0.85 LMNA (0.58) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL4935067 0.85 LMNA (0.61) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL20769804 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL65737 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL1715 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL29757088 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL67237 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL9171150 0.81 LMNA (0.58) LMNAHSD17B10ALDH1A1POLBCRHBP
Hydrochloric Acid SCHEMBL16820451 0.81 LMNA (0.58) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL13389213 0.81 LMNA (0.58) LMNAHSD17B10ALDH1A1POLBCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558916-B Synthesis process of p-phenylbutoxy benzoic acid 昆山力田医化科技有限公司 2020-09-04 CN disclosed
CN-108558916-B Synthesis process of p-phenylbutoxy benzoic acid 昆山力田医化科技有限公司 2020-09-04 CN disclosed
EP-0289324-B1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
EP-0299760-B1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID OR ITS DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
EP-0282221-B1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID OR ITS ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-15 EP disclosed
US-4898655-A Method for racemization of optically active chrysanthemic acid or its derivatives SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1990-02-06 US disclosed
US-4820864-A Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-11 US disclosed
US-4812264-A Method for racemization of optically active chrysanthemic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-14 US disclosed
EP-0299760-A1 Method for racemization of optically active chrysanthemic acid or its derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-18 EP disclosed
EP-0289324-A1 Method for racemization of optically active chrysanthemic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-02 EP disclosed
EP-0282221-A2 Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-14 EP disclosed