SCHEMBL8988515

SCHEMBL8988515

COC(=O)CCc1ccc(C2=C(OC)CN(c3ccc(C(=N)NC(=O)OC)cc3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
PTPN1 P18031 2/20 0.36
HDAC1 Q13547 2/20 0.35
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
EPHX2 P34913 1/20 0.31
CTSD P07339 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL9564737 0.94 HRH3 (0.34) HRH3PTPN1HDAC1LMNAL3MBTL1
SCHEMBL8988493 0.93 CYP4F2 (0.38) HRH3PTPN1LMNAL3MBTL1ITGB3
SCHEMBL8988712 0.93 ALDH1A1 (0.35) HRH3PTPN1HDAC1TP53LMNA
SCHEMBL9564728 0.92 HRH3 (0.33) HRH3PTPN1HDAC1
SCHEMBL9564731 0.91 CASP1 (0.33) HRH3PTPN1HDAC1
SCHEMBL9564733 0.91 HRH3 (0.32) HRH3PTPN1HDAC1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL8988806 0.91 HRH3 (0.36) HRH3PTPN1HDAC1TP53LMNA
SCHEMBL8988708 0.90 MASP2 (0.32) HRH3PTPN1HDAC1ITGB3ITGA2B
Bicarbonate SCHEMBL8988879 0.89 PTPN1 (0.33) HRH3PTPN1HDAC1LMNAL3MBTL1
SCHEMBL8988689 0.89 ITGB3 (0.43) HRH3PTPN1HDAC1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed