SCHEMBL10587461

SCHEMBL10587461

NC1CCOc2c(CC(=O)O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 4/20 0.42
F11 P03951 4/20 0.42
KLKB1 P03952 4/20 0.42
F2 P00734 3/20 0.42
F9 P00740 3/20 0.42
F10 P00742 3/20 0.42
PLG P00747 3/20 0.42
PLAU P00749 3/20 0.42
PLAT P00750 3/20 0.42
F7 P08709 3/20 0.42
AKR1B1 P15121 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 3/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL10594523 0.84 AKR1B1 (0.37) CFDF11KLKB1F2F9
SCHEMBL7972501 0.78 PARP1 (0.41) CYP2C9ACHE
SCHEMBL19973594 0.78 PARP1 (0.41) CYP2C9ACHE
SCHEMBL21456844 0.78 ACHE (0.47) CFDF11KLKB1AKR1B1TDP1
SCHEMBL10586303 0.77 PTGDR2 (0.49) CFDF11KLKB1F2F9
Hydrochloric Acid SCHEMBL19974004 0.77 PARP1 (0.40) CYP2C9ACHE
Hydrochloric Acid SCHEMBL19974005 0.77 PARP1 (0.40) CYP2C9ACHE
SCHEMBL10586188 0.75 CFD (0.37) CFDF11KLKB1F2F9
SCHEMBL10587133 0.74 USP2 (0.44) TDP1P2RX7
SCHEMBL10586351 0.73 GBA1 (0.45) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882353-A ANTICOAGULANTS, VASODILATION, AND BRONCHODILATOR AGENT BAYER AKTIENGESELLSCHAFT (DE) 1989-11-21 US disclosed
EP-0315009-A2 Chroman derivatives, process for their preparation and their use in medicines BAYER AG (DE) 1989-05-10 EP disclosed