SCHEMBL10455142

SCHEMBL10455142

O=C([C]Br)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.50
CES2 O00748 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
PTPN1 P18031 1/20 0.46
GSK3B P49841 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL28025835 0.80 HSP90AA1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL7464184 0.78 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
SCHEMBL10413479 0.78 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
SCHEMBL5143659 0.78 HSP90AA1 (0.57) CES1CES2TSHRALDH1A1DAO
SCHEMBL9169521 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL144974 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL645042 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL158535 0.74 ALDH1A1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL139423 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL10403407 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393751-A2 Polymerization catalyst, the process for its preparation and its use in ethylene homo and copolymerization ENIRICERCHE S.p.A. (IT) 1990-10-24 EP disclosed