SCHEMBL8561323

SCHEMBL8561323

COC(=O)CCC1CCC(C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
KLK7 P49862 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL7747296 0.95 TSHR (0.38) TSHRMEN1KMT2AMAPTATM
SCHEMBL7747291 0.95 TSHR (0.38) TSHRMEN1KMT2AMAPTATM
SCHEMBL7747301 0.95 TSHR (0.38) TSHRMEN1KMT2AMAPTATM
SCHEMBL30258554 0.88 TSHR (0.44) TSHRKMT2AMAPTALDH1A1TDP1
SCHEMBL698490 0.87
Hydrochloric Acid SCHEMBL14167163 0.85 TSHR (0.52) TSHRMEN1KMT2AMAPTATM
SCHEMBL2478048 0.83 BRD4 (0.42) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7746087 0.80 ALDH1A1 (0.40) TSHRMEN1KMT2AMAPTATM
SCHEMBL7746092 0.80 ALDH1A1 (0.40) TSHRMEN1KMT2AMAPTATM
SCHEMBL8359776 0.80 ALDH1A1 (0.40) 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 1 patent. 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