SCHEMBL28839155

SCHEMBL28839155

[AlH3].c1ccc([C](c2ccccc2)c2ccccc2)cc1

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
TDP1 Q9NUW8 5/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
F2 P00734 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 2/20 0.45
CA3 P07451 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL143 0.96 CES1 (0.53) CES1CES2TSHRALDH1A1DAO
Bromide SCHEMBL28972076 0.92 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL27637572 0.92 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
Methane SCHEMBL29155195 0.92 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL29083294 0.92 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL28911317 0.92 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
Charcoal, Activated SCHEMBL30423229 0.92 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
Boric Acid SCHEMBL29130048 0.86 CES1 (0.45) CES1CES2TSHRALDH1A1DAO
Potassium Bromide SCHEMBL21141912 0.86 CES1 (0.45) CES1CES2TSHRALDH1A1DAO
Boric Acid SCHEMBL27579599 0.86 CES1 (0.45) 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
CN-104271537-B Polymer forms the oligomeric of the olefin(e) compound reducing 沙索技术有限公司 2017-03-08 CN disclosed