SCHEMBL7989831

SCHEMBL7989831

[c]1c(-c2ccc(OCCn3ccnc3)cc2)sc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
HMOX1 P09601 1/20 0.53
KMT2A Q03164 1/20 0.53
TBXAS1 P24557 4/20 0.51
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16345874 0.83 GSTP1 (0.48) KMT2A
SCHEMBL8013638 0.81 LTA4H (0.62) LTA4HALDH1A1KDM4E
SCHEMBL7348121 0.79 TBXAS1 (0.64) LTA4HHMOX1KMT2ATBXAS1CYP19A1
SCHEMBL7132156 0.71 LTA4H (1.00) LTA4HHMOX1KMT2ATBXAS1ALDH1A1
SCHEMBL10370478 0.71 TBXAS1 (1.00) LTA4HKMT2ATBXAS1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9996050 0.70 TBXAS1 (0.97) LTA4HKMT2ATBXAS1ALDH1A1KDM4E
SCHEMBL7877011 0.69 QPCT (0.66) LTA4HHMOX1KMT2ATBXAS1CYP19A1
SCHEMBL5759785 0.68 HMOX1 (0.85) LTA4HHMOX1KMT2ATBXAS1CYP19A1
SCHEMBL8685441 0.68 TBXAS1 (0.70) LTA4HKMT2ATBXAS1CYP19A1ALDH1A1
SCHEMBL7477480 0.68 HMOX1 (0.75) LTA4HHMOX1KMT2ATBXAS1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed