SCHEMBL7348121

SCHEMBL7348121

c1ccc(COc2cccc(-c3ccc(OCCn4ccnc4)cc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.64
LTA4H P09960 1/20 0.63
HMOX1 P09601 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 3/20 0.57
CYP19A1 P11511 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL10370478 0.80 TBXAS1 (1.00) TBXAS1LTA4HKMT2AALDH1A1KDM4E
SCHEMBL15125645 0.80 KMT2A (0.62) TBXAS1KMT2AALDH1A1KDM4E
SCHEMBL7989831 0.79 LTA4H (0.53) TBXAS1LTA4HHMOX1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9996050 0.79 TBXAS1 (0.97) TBXAS1LTA4HKMT2AALDH1A1KDM4E
SCHEMBL16346074 0.79 GSTP1 (0.66)
SCHEMBL7842627 0.79 SRC (0.81)
Hydrochloric Acid SCHEMBL9483473 0.78 KMT2A (0.70) TBXAS1LTA4HKMT2AKDM4E
SCHEMBL7132156 0.78 LTA4H (1.00) TBXAS1LTA4HHMOX1KMT2AALDH1A1
SCHEMBL5760109 0.78 HMOX1 (0.65) TBXAS1HMOX1KMT2AALDH1A1CYP19A1
SCHEMBL7842886 0.78 SRC (0.69) TBXAS1LTA4HHMOX1KMT2A

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-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed