SCHEMBL10413084

SCHEMBL10413084

O=C(Nc1ccc(CCc2c(F)c(F)c(F)c(F)c2F)cc1)C1=C(O)c2ccccc2SC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PTGES O14684 1/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ ESRRG P62508 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ DHODH Q02127 1/20 0.34

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
SCHEMBL10412488 0.85 MAPT (0.42) MAPTTP53PTGESALOX15SMN1; SMN2
SCHEMBL10412130 0.84 ALOX15 (0.56) MAPTTP53PTGESALOX15
SCHEMBL10412146 0.83 ALOX15 (0.44) MAPTTP53PTGESALOX15ESRRG
SCHEMBL10411370 0.83 ALOX15 (0.45) MAPTTP53PTGESALOX15MEN1
SCHEMBL10411350 0.82 MAPT (0.39) MAPTTP53PTGESALOX15
SCHEMBL10412040 0.82 MAPT (0.45) MAPTTP53PTGESALOX15SMN1; SMN2
SCHEMBL10412528 0.81 S1PR1 (0.45) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL10412491 0.81 NAMPT (0.41) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL10412947 0.80 MAPT (0.50) MAPTTP53PTGESSMN1; SMN2MEN1
SCHEMBL10411293 0.79 PTGES (0.42) MAPTTP53PTGESALOX15MEN1

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 claimed
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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