SCHEMBL10412487

SCHEMBL10412487

O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)C(=O)C1=C(O)c2ccccc2SC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 11/20 0.48
▸ CCR5 P51681 4/20 0.43
▸ NR1H3 Q13133 1/20 0.40
▸ NAMPT P43490 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL10412130 0.89 ALOX15 (0.56) ALOX15CCR5NR1H3NAMPTTP53
SCHEMBL10412132 0.88 PTGES (0.48) ALOX15TP53MAPT
SCHEMBL10412022 0.87 MAPT (0.44) TP53MAPT
SCHEMBL10411375 0.87 NR1H3 (0.40) ALOX15CCR5NR1H3TP53MAPT
SCHEMBL10411288 0.85 MAPT (0.47) NR1H3NAMPTTP53MAPT
SCHEMBL10411370 0.80 ALOX15 (0.45) ALOX15TP53MAPT
SCHEMBL10411372 0.79 ALOX15 (0.48) ALOX15CCR5NR1H3NAMPTTP53
SCHEMBL10412944 0.78 NR1H3 (0.42) ALOX15CCR5NR1H3TP53MAPT
SCHEMBL10411974 0.78 MAPT (0.43) ALOX15NOX4TP53MAPT
SCHEMBL10411296 0.78 ALOX15 (0.57) ALOX15CCR5NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 — — US 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-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-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY 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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