SCHEMBL8712988

SCHEMBL8712988

CC[C@@H]([C]=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MIF P14174 1/20 0.42
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
TRPA1 O75762 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
AOC3 Q16853 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
FFAR1 O14842 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL143452 1.00 LMNA (0.46) LMNAMIFPOLBMEN1KMT2A
SCHEMBL11258661 0.88 FFAR1 (0.50) SMN1; SMN2FFAR1
SCHEMBL142722 0.83 AOC3 (0.42) LMNAMIFPOLBSMN1; SMN2TAAR1
SCHEMBL28799952 0.83 AOC3 (0.42) LMNAMIFPOLBSMN1; SMN2TAAR1
SCHEMBL9725435 0.82 TRPA1 (0.40) LMNAMIFPOLBMEN1KMT2A
SCHEMBL10590199 0.80 CYP3A4 (0.40) LMNAPOLBHTTSMN1; SMN2
SCHEMBL143657 0.79 POLB (0.45) POLBHTR2AHRH1
SCHEMBL11211687 0.78 ALDH1A1 (0.41) LMNAMIFTRPA1TAAR1HRH1
SCHEMBL6447269 0.78 ESR1 (0.54) LMNAMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL7132895 0.78 GAA (0.36) LMNAPOLBMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
CN-1036399-C Tripeptide antithrombotic agents LILLY CO ELI (US) 1997-11-12 CN 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-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
CN-1060472-A TRIPEPTIDE ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1992-04-22 CN disclosed