SCHEMBL7442974

SCHEMBL7442974

CC(C)OC([C]=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
THRB P10828 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11088217 0.81 IDO1 (0.35) KMT2AADRA2AHTTCYP2D6LMNA
SCHEMBL1201089 0.79 TRPA1 (0.43) MIFALDH1A1L3MBTL1TAAR1THRB
SCHEMBL28792130 0.79 TRPA1 (0.43) MIFALDH1A1L3MBTL1TAAR1THRB
SCHEMBL7306869 0.78 KMT2A (0.42) ALDH1A1L3MBTL1KMT2ATHRBCYP2D6
SCHEMBL188510 0.78 KMT2A (0.42) ALDH1A1L3MBTL1KMT2ATHRBCYP2D6
SCHEMBL7704413 0.78 KMT2A (0.42) ALDH1A1L3MBTL1KMT2ATHRBCYP2D6
SCHEMBL4602744 0.75 NPSR1 (0.40) ALDH1A1KMT2ATAAR1CYP2D6CA12
SCHEMBL11176872 0.74 CYP2D6 (0.34) KMT2ACYP2D6LMNA
SCHEMBL27418681 0.74 SRC (0.39) ALDH1A1L3MBTL1KMT2ACYP2D6LMNA
SCHEMBL9165582 0.73 L3MBTL1 (0.43) MIFALDH1A1L3MBTL1KMT2AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
US-5252566-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-10-12 US disclosed
CN-1074438-A Antithrombotic agent LILLY CO ELI (US) 1993-07-21 CN disclosed
EP-0542525-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-05-19 EP disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed