SCHEMBL21734166

SCHEMBL21734166

NC1CCC(=CC(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
PLA2G7 Q13093 1/20 0.33
OAT P04181 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA4 P13612 1/20 0.31
TLR4 O00206 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
SCHEMBL3841912 0.77 TSHR (0.34) TSHRPLA2G7ITGB3ITGB1ITGAV
SCHEMBL7310223 0.77 TSHR (0.34) TSHRPLA2G7ITGB3ITGB1ITGAV
SCHEMBL12983433 0.77 ITGB3 (0.40) TSHRPLA2G7ITGB3ITGB1ITGAV
SCHEMBL28099742 0.75 ESR2 (0.38) TSHRTLR4
Bicarbonate SCHEMBL7136153 0.74 GABRR1 (0.42) OAT
Bicarbonate SCHEMBL7136582 0.74 GABRR1 (0.42) OAT
Bicarbonate SCHEMBL1702507 0.74
SCHEMBL6712596 0.72 GLA (0.37) TSHR
SCHEMBL3836552 0.72 HK2 (0.44) TSHRPLA2G7
SCHEMBL13564701 0.72 TSHR (0.31) TSHRPLA2G7

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
US-10575393-B1 Heat-shielding microcapsules for protecting temperature sensitive components INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-02-25 US disclosed