SCHEMBL7501980

SCHEMBL7501980

COc1cc(Cc2[c]cc(O)cc2OCCN2CCCC2)cc(OC)c1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
GAA P10253 2/20 0.43
F2 P00734 2/20 0.42
ESR1 P03372 2/20 0.40
POLB P06746 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7441910 0.82 F2 (0.49) LTA4HF2ESR1
SCHEMBL7505643 0.76 SMN1; SMN2 (0.47) LTA4HGAAESR1POLBMEN1
SCHEMBL7347611 0.75 LTA4H (0.42) LTA4HGAAF2ESR1SIGMAR1
SCHEMBL7349365 0.75 F2 (0.42) F2MEN1KMT2A
SCHEMBL6963429 0.73 LTA4H (0.56) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL7441879 0.73 TDP1 (0.52) ESR1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL7348255 0.72 KDM4E (0.41) LTA4HGAAF2POLBSIGMAR1
SCHEMBL1427541 0.72 GAA (0.61) GAAPOLBMEN1KMT2ATDP1
SCHEMBL7346857 0.72 PSMB1 (0.48) LTA4HESR1
SCHEMBL7347810 0.72 HTT (0.49) LTA4HPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed