SCHEMBL8566167

SCHEMBL8566167

COC(=O)CC[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
KLK7 P49862 3/20 0.38
EPHX2 P34913 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1188266 1.00 TSHR (0.46) TSHRMEN1KMT2AMAPTATM
SCHEMBL698490 0.92
Hydrochloric Acid SCHEMBL14167163 0.90 TSHR (0.52) TSHRMEN1KMT2AMAPTATM
SCHEMBL22757319 0.84 TSHR (0.46) TSHRMEN1KMT2AMAPTATM
SCHEMBL697966 0.83 TSHR (0.50) TSHRMEN1KMT2AMAPTATM
SCHEMBL697221 0.83 ALDH1A1 (0.50) TSHRMEN1KMT2AMAPTATM
SCHEMBL6883317 0.82 TSHR (0.44) TSHRMEN1KMT2AMAPTATM
SCHEMBL7605599 0.82 TSHR (0.44) TSHRMEN1KMT2AMAPTATM
SCHEMBL338018 0.82 TSHR (0.44) TSHRMEN1KMT2AMAPTATM
SCHEMBL6883320 0.82 TSHR (0.44) TSHRMEN1KMT2AMAPTATM

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 5 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
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP 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
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed