SCHEMBL10412535

SCHEMBL10412535

CCCCCCCCCCc1ccc(NC(=O)C(=O)C2=C(O)c3ccccc3OC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ THRA P10827 3/20 0.44
▸ THRB P10828 3/20 0.44
▸ SPHK1 Q9NYA1 12/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ S1PR1 P21453 1/20 0.41

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
SCHEMBL10412960 0.80 THRA (0.44) POLBTHRATHRBSPHK1EPHX1
SCHEMBL15329730 0.73 THRA (0.69) POLBTHRATHRBSPHK1CA12
SCHEMBL12491077 0.73 THRA (0.69) POLBTHRATHRBSPHK1CA12
SCHEMBL8622633 0.71 ESR1 (0.69) THRATHRBSPHK1CA12CA1
SCHEMBL8626430 0.69 THRA (0.57) THRATHRBSPHK1CA12CA1
SCHEMBL16741944 0.68 THRA (0.62) THRATHRBSPHK1CA12CA1
SCHEMBL28373608 0.68 RARB (0.65) THRATHRBSPHK1S1PR1
SCHEMBL28373505 0.68 RARB (0.65) THRATHRBSPHK1S1PR1
SCHEMBL11352018 0.68 CA12 (0.76) POLBTHRATHRBSPHK1EPHX1
SCHEMBL11353893 0.68 CA12 (0.76) POLBTHRATHRBSPHK1EPHX1

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-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 — — 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-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-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS 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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