SCHEMBL8000314

SCHEMBL8000314

COC(=O)c1ccc(C(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.61
HPGD P15428 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.48
POLB P06746 3/20 0.47
ERN1 O75460 1/20 0.47

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
SCHEMBL559830 0.90 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30525281 0.90 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
Methane SCHEMBL27578247 0.89 VCAM1 (0.62) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL29559552 0.88 VCAM1 (0.58) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL22897788 0.88 VCAM1 (0.58) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL2388784 0.88 VCAM1 (0.54) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL2116235 0.88 VCAM1 (0.61) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL1661691 0.86 VCAM1 (0.59) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL10772821 0.85 VCAM1 (0.56) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL8887611 0.85 VCAM1 (0.58) VCAM1HPGDALDH1A1NPSR1LMNA

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
CN-120965175-A High-low temperature-resistant asphalt mixture containing coal asphalt and preparation method thereof 北京恒石道路科技集团有限公司 2025-11-18 CN disclosed
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed