SCHEMBL11301145

SCHEMBL11301145

O=C(c1ccccc1)c1cccc(CCBr)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 2/20 0.50
PBRM1 Q86U86 1/20 0.50
CYP19A1 P11511 2/20 0.49
SRD5A2 P31213 2/20 0.48
FOLH1 Q04609 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL30407967 0.94 TDP1 (0.48) TDP1L3MBTL1ATMALDH1A1PBRM1
SCHEMBL27905642 0.86 CES2 (0.55) TDP1FOLH1
SCHEMBL29728644 0.85 L3MBTL1 (0.63) TDP1L3MBTL1ATMALDH1A1PBRM1
SCHEMBL1815690 0.85 FOLH1 (0.61) TDP1FOLH1
SCHEMBL435297 0.85 L3MBTL1 (0.63) TDP1L3MBTL1ATMALDH1A1PBRM1
SCHEMBL7394259 0.84 TDP1 (0.61) TDP1L3MBTL1ATMALDH1A1PBRM1
SCHEMBL4669025 0.84 TDP1 (0.61) TDP1L3MBTL1ATMALDH1A1PBRM1
SCHEMBL5433433 0.83 TDP1 (0.58) TDP1L3MBTL1ATMALDH1A1SRD5A2
SCHEMBL3112767 0.82 KEAP1 (0.62) TDP1L3MBTL1ATMALDH1A1PBRM1
SCHEMBL10905589 0.82 ATM (0.59) TDP1L3MBTL1ATMALDH1A1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103044241-A Synthesis method of m-phenyl formyl phenylacetic acid CGENE TECH SUZHOU CHINA CO LTD 2013-04-17 CN claimed
CN-105339379-A Modified glycolipids and methods of making and using the same VACCINEX INC 2016-02-17 CN disclosed
CN-103228622-A Agonists of gpr40 CONNEXIOS LIFE SCIENCES PVT LTD 2013-07-31 CN disclosed
CN-103044241-A Synthesis method of m-phenyl formyl phenylacetic acid CGENE TECH SUZHOU CHINA CO LTD 2013-04-17 CN disclosed
CN-1115320-C Process for synthesizing ketoibuprofen UNIV FUDAN (CN) 2003-07-23 CN disclosed
CN-1311779-A Succinoylamino lactams as inhibitors and as A beta protein production DU PONT PHARM CO (US) 2001-09-05 CN disclosed
CN-1257860-A Process for synthesizing ketoibuprofen UNIV FUDAN (CN) 2000-06-28 CN disclosed
EP-0052311-A1 1-((Benzoylphenyl) - lower-alkyl) piperidines and carbinol analogs and preparation thereof STERLING DRUG INC. (US) 1982-05-26 EP disclosed