SCHEMBL8414043

SCHEMBL8414043

CC(C)OC(=O)CCc1ccccc1N1CCNC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.40
FAAH O00519 7/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8558186 0.86 NOTUM (0.42) NOTUMALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8417011 0.84 CYP4F2 (0.52) NOTUMALDH1A1HSD17B10KDM4ETSHR
SCHEMBL8575697 0.82 NOTUM (0.44) NOTUMALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8415367 0.80 SCN9A (0.38) ALDH1A1KDM4EMAPTCASP1CASP7
Hydrochloric Acid SCHEMBL8576052 0.78 TDP1 (0.48) ALDH1A1HSD17B10HPGDTSHRMEN1
SCHEMBL8414048 0.78 LMNA (0.42) NOTUMALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31058340 0.76 MEN1 (0.49) ALDH1A1KDM4ETSHRMAPTCASP1
SCHEMBL8572572 0.72 MEN1 (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30410323 0.70 TSHR (0.49) NOTUMALDH1A1HSD17B10KDM4EHPGD
SCHEMBL14360117 0.70 TSHR (0.49) NOTUMALDH1A1HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed