SCHEMBL28443386

SCHEMBL28443386

OCC(CS)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
FOLH1 Q04609 2/20 0.52
CPA3 P15088 1/20 0.52
TRPA1 O75762 1/20 0.50
MME P08473 6/20 0.46
CYP1A2 P05177 1/20 0.43
CTRB1 P17538 1/20 0.43
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ACE P12821 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ECE1 P42892 1/20 0.42
BLM P54132 1/20 0.42
NPEPPS P55786 1/20 0.42

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
SCHEMBL5161982 0.86 TRPA1 (0.58) ANPEPCPA3TRPA1CYP1A2EPHX1
SCHEMBL8973724 0.86 ANPEP (0.60) ANPEPFOLH1CPA3MMECYP1A2
SCHEMBL13721525 0.86 TRPA1 (0.58) ANPEPCPA3TRPA1CYP1A2EPHX1
SCHEMBL345523 0.78 TRPA1 (0.55) TRPA1CYP1A2EPHX1IDO1TSHR
SCHEMBL29822049 0.78 TRPA1 (0.50) ANPEPTRPA1CYP1A2EPHX1TSHR
SCHEMBL28573244 0.78 TRPA1 (0.50) ANPEPTRPA1CYP1A2EPHX1IDO1
SCHEMBL7906029 0.78 TRPA1 (0.50) ANPEPCPA3TRPA1CYP1A2EPHX1
SCHEMBL353179 0.78 TRPA1 (0.50) ANPEPTRPA1CYP1A2EPHX1TSHR
SCHEMBL6427170 0.78 TRPA1 (0.50) ANPEPTRPA1CYP1A2EPHX1IDO1
SCHEMBL2604925 0.78 TRPA1 (0.55) TRPA1CYP1A2EPHX1IDO1TSHR

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-111603800-A Method for selectively removing or simultaneously removing multiple ionic impurities from electronic chemicals and electronic chemical production solutions 贵州金之键高科技材料有限公司 2020-09-01 CN disclosed