SCHEMBL6963348

SCHEMBL6963348

COC(=O)c1ccc(CC2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
EPHX1 P07099 1/20 0.52
PPM1D O15297 1/20 0.51
CYP4A11 Q02928 2/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP2C19 P33261 2/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 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
SCHEMBL31352725 0.93 LOXL2 (0.58) LOXL2EPHX1CYP4A11CYP4F2MAPT
SCHEMBL13687815 0.87 LOXL2 (0.51) LOXL2EPHX1CYP4A11NPC1ALDH1A1
SCHEMBL23912339 0.87 CYP4A11 (0.46) LOXL2EPHX1PPM1DCYP4A11NPC1
SCHEMBL6794966 0.86 LOXL2 (0.50) LOXL2EPHX1CYP4A11ALDH1A1CYP4F2
SCHEMBL2250651 0.86 LOXL2 (0.50) LOXL2CYP4A11NPC1ALDH1A1SMN1; SMN2
SCHEMBL4247366 0.86 GBA1 (0.51) LOXL2EPHX1CYP4A11ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4777910 0.84 GBA1 (0.50) LOXL2EPHX1CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL19922142 0.83 CYP4A11 (0.54) LOXL2EPHX1PPM1DCYP4A11NPC1
SCHEMBL4771649 0.82 RAB9A (0.54) ALDH1A1SMN1; SMN2CYP2C19MAPTMEN1
SCHEMBL20535307 0.81 HDAC6 (0.68) LOXL2EPHX1PPM1DNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed