SCHEMBL10412938

SCHEMBL10412938

CCCCCCCCCCc1ccc(NC(=O)C2=C(O)c3ccccc3SN2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.46
▸ THRA P10827 3/20 0.45
▸ THRB P10828 3/20 0.45
▸ SPHK1 Q9NYA1 10/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ SPHK2 Q9NRA0 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
SCHEMBL10412963 0.82 PTGES (0.52) —
SCHEMBL10412960 0.72 THRA (0.44) THRATHRBSPHK1CA12CA1
SCHEMBL9826537 0.71 ALOX15 (0.72) TRPV1THRATHRBCA12CA1
SCHEMBL9827313 0.70 PLAU (0.58) TRPV1THRATHRBSPHK1S1PR1
SCHEMBL13181181 0.70 TRPV1 (0.81) TRPV1THRATHRB
SCHEMBL7735445 0.70 THRA (0.68) THRATHRBSPHK1CA12CA1
SCHEMBL2097588 0.70 THRA (0.68) THRATHRBSPHK1CA12CA1
SCHEMBL27665915 0.70 THRA (0.68) THRATHRBSPHK1CA12CA1
SCHEMBL8756528 0.69 TRPV1 (0.58) TRPV1THRATHRB
SCHEMBL8390488 0.69 TRPV1 (0.58) TRPV1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS 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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