SCHEMBL27870599

SCHEMBL27870599

O=C(O)C1=CC=CCCN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SLC6A1 P30531 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1861177 0.77
Hydrochloric Acid SCHEMBL4574641 0.76 BLM (0.32) BLM
Ammonia Solution, Strong SCHEMBL6246468 0.69
SCHEMBL3717006 0.67
SCHEMBL10296549 0.65
SCHEMBL28310008 0.65
Hydrochloric Acid SCHEMBL28060817 0.65 BLM (0.39) TSHRSLC6A1SLC6A13BLMKDM4E
SCHEMBL7386649 0.65 TSHR (0.36) TSHRSLC6A1SLC6A13BLMKDM4E
Hydrochloric Acid SCHEMBL2164761 0.65 TSHR (0.38) TSHRSLC6A1SLC6A13BLM
SCHEMBL607166 0.64

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-102471239-A Process for producing optically active 1-amino-2-vinylcyclopropanecarboxylic acid ester SUMITOMO CHEMICAL CO 2012-05-23 CN disclosed