SCHEMBL8560336

SCHEMBL8560336

NC1CCC(OCC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
TSHR P16473 1/20 0.37
CTH P32929 1/20 0.37
CBS P35520 1/20 0.37
THPO P40225 1/20 0.37
ADCY5 O95622 1/20 0.36
THRB P10828 1/20 0.36
PTGIR P43119 5/20 0.35
SMYD3 Q9H7B4 1/20 0.33
SLC6A12 P48065 3/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32

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
SCHEMBL8415991 1.00 ITGB3 (0.38) ITGB3ITGA2BTSHRCTHCBS
Hydrochloric Acid SCHEMBL8897148 0.98 THRB (0.39) ITGB3ITGA2BTSHRCTHCBS
SCHEMBL9194978 0.89
SCHEMBL26547180 0.88 ADCY5 (0.40) ITGB3ITGA2BTSHRCTHCBS
SCHEMBL28723032 0.83 SMYD3 (0.33) SMYD3
SCHEMBL18987738 0.83 SMYD3 (0.33) SMYD3
SCHEMBL29755709 0.82 ITGB3 (0.40) ITGB3ITGA2BTSHRCTHCBS
SCHEMBL15724863 0.81 SMYD3 (0.35) SMYD3
SCHEMBL8716708 0.80 ITGB3 (0.39) ITGB3ITGA2BTSHRCTHCBS
SCHEMBL1733927 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed