SCHEMBL10412027

SCHEMBL10412027

O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)C(=O)c1sc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 10/20 0.54
▸ CCR5 P51681 2/20 0.46
▸ F10 P00742 2/20 0.42
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL10768004 0.87 ALOX15 (0.55) ALOX15CCR5ERCC1ERCC4MAPT
SCHEMBL10412088 0.84 MAPT (0.56) F10MAOBMAPT
SCHEMBL9826484 0.76 ALOX15 (0.76) ALOX15CCR5
SCHEMBL10412487 0.71 ALOX15 (0.48) ALOX15CCR5TP53MAPT
SCHEMBL9826446 0.69 ALOX15 (0.56) ALOX15CCR5
SCHEMBL10411372 0.69 ALOX15 (0.48) ALOX15CCR5TP53MAPT
SCHEMBL9826900 0.68 ALOX15 (1.00) ALOX15CCR5TP53SMN1; SMN2
SCHEMBL10385051 0.67 ALOX15 (0.49) ALOX15CCR5ERCC1ERCC4MAPT
SCHEMBL9660830 0.67 RAB9A (0.58) F10MAOBTP53MAPTSMN1; SMN2
SCHEMBL11955716 0.65 F10 (0.55) F10MAOBTP53MAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 — — US claimed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 — — EP claimed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 — — US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 — — US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 — — US disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 — — EP disclosed
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