SCHEMBL6615264

SCHEMBL6615264

CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)O)cc2NCC1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
HDAC8 Q9BY41 9/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL6614346 0.86 NR1H2 (0.44) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL6618500 0.85 NR1H2 (0.39) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL6657656 0.83 ITGA4 (0.41) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL7683608 0.80 NR1H2 (0.44) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL6618635 0.80 NR1H2 (0.44) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL6619143 0.78 FNTA (0.49) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL6634181 0.78 FNTA (0.49) PTPN1HDAC8NR1H2NR1H3MEN1
SCHEMBL2957414 0.73 MAPK1 (0.55) NR1H2NR1H3MEN1KMT2AMAPK1
SCHEMBL10324269 0.73 MAPK1 (0.55) NR1H2NR1H3MEN1KMT2AMAPK1
SCHEMBL14130159 0.73 MAPK1 (0.55) HDAC8NR1H2NR1H3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed