SCHEMBL10932008

SCHEMBL10932008

CC(=O)C(Br)=Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.63
RECQL P46063 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
FBP1 P09467 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKR1C1 Q04828 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DHODH Q02127 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1481710 0.82 AKR1C3 (0.61) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL874087 0.82 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL1804115 0.82 AKR1C3 (0.61) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL805622 0.82 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL1804114 0.82 AKR1C3 (0.61) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL2532810 0.82 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL13997261 0.81 AKR1C3 (0.52) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL781850 0.80 AKR1C3 (0.72) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL10455551 0.79 TRPA1 (0.52) AKR1C3ALDH1A1HTTFBP1GLA
SCHEMBL28041288 0.78 AKR1C3 (0.52) AKR1C3RECQLALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60126646-A None JP disclosed
CN-118955267-A Alpha-bromo-alpha, beta-unsaturated ketone compound and application thereof in preparation of plant parasitic nematode prevention and control medicines 陕西省生物农业研究所 2024-11-15 CN disclosed
CN-102282234-B Material for organic electroluminescent device MERCK PATENT GMBH 2014-07-30 CN disclosed
CN-102241615-B Multifunctional chiral amine compound, preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-05-07 CN disclosed
CN-102617419-B One-pot synthesis method of conjugate eneyne thioether UNIV HUNAN 2014-03-05 CN disclosed
CN-102282234-A Material for organic electroluminescent device 2011-12-14 CN disclosed
CN-102241615-A Multifunctional chiral amine compound, preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2011-11-16 CN disclosed
CN-102190536-A Method for organically catalyzing asymmetric conjugated addition of ketene and organic phosphorus compound UNIV EAST CHINA SCIENCE & TECH 2011-09-21 CN disclosed
JP-S60126646-A NONSILVER SALT PHOTOSENSITIVE MATERIAL DAICEL CHEM IND LTD 1985-07-06 JP disclosed