SCHEMBL8948980

SCHEMBL8948980

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ncc(C(=O)N3CCC(O)(CC(=O)OCc4ccccc4)CC3)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ENPP2 Q13822 2/20 0.38
ATXN2 Q99700 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CCR1 P32246 1/20 0.37
VNN1 O95497 1/20 0.37
PKLR P30613 3/20 0.37
TGM2 P21980 1/20 0.36
TYK2 P29597 1/20 0.36
MASP2 O00187 1/20 0.35
SLC6A7 Q99884 1/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ACACB O00763 1/20 0.35
PRKAB2 O43741 1/20 0.35

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
SCHEMBL8599008 0.84 TGM2 (0.38) ENPP2ATXN2ALDH1A1LMNACCR1
SCHEMBL8949220 0.78 XDH (0.47) LMNAMASP2
SCHEMBL9568095 0.71 TGM2 (0.48) ALDH1A1LMNATGM2MASP2
SCHEMBL8407202 0.71 YAP1 (0.49) ALDH1A1LMNATGM2MASP2
SCHEMBL7276193 0.69 LMNA (0.55) LMNAMASP2
SCHEMBL8407251 0.69 SRD5A2 (0.48) LMNAMASP2
SCHEMBL9568156 0.68 TGM2 (0.43) ALDH1A1LMNAVNN1TGM2MASP2
SCHEMBL5845871 0.68 NR4A1 (0.51) LMNAMASP2
SCHEMBL10942377 0.68 LMNA (0.59) LMNAMASP2
SCHEMBL7450597 0.67 CTRB1 (0.49) LMNAMASP2

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-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed