SCHEMBL8409046

SCHEMBL8409046

COC(=O)CC1(CC(=O)OC)CCN(C(=O)c2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
KDM1A O60341 1/20 0.46
F10 P00742 7/20 0.43
F2 P00734 2/20 0.43
HPGD P15428 1/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
PRSS1 P07477 4/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
Hydrochloric Acid SCHEMBL8949004 0.88 ITGB3 (0.45) ITGB3ITGA2BKDM1AF10F2
SCHEMBL8410727 0.86 LOXL2 (0.43) HPGDUSP2TSHRMAPK1SMN1; SMN2
SCHEMBL8410502 0.85 ITGB3 (0.62) ITGB3ITGA2BHPGDUSP2MAPK1
SCHEMBL8410628 0.82 PTGER4 (0.54) KDM1AHPGDUSP2TSHRMAPK1
Hydrochloric Acid SCHEMBL8714344 0.80 KDM1A (0.54) ITGB3ITGA2BKDM1AHPGDPOLB
SCHEMBL9186836 0.79 ITGB3 (0.51) ITGB3ITGA2BF10F2SMN1; SMN2
Hydrochloric Acid SCHEMBL8409916 0.78 ITGB3 (0.50) ITGB3ITGA2BF10F2SMN1; SMN2
SCHEMBL8410559 0.77 ITGB3 (0.60) ITGB3ITGA2BHPGDUSP2MAPK1
SCHEMBL8949438 0.74 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1
SCHEMBL8410650 0.74 TSHR (0.62) ITGB3ITGA2BF10F2HPGD

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-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed