SCHEMBL7922901

SCHEMBL7922901

COc1cccc(-c2ccc(C)cc2)c1C=CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SYK P43405 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CYP1A1 P04798 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ TNKS O95271 2/20 0.37
▸ TNKS2 Q9H2K2 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35

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
SCHEMBL7922895 1.00 NFE2L2 (0.41) NFE2L2ABCG2SYKACHECYP1A1
SCHEMBL7932764 0.84 SYK (0.37) NFE2L2SYKMAPK1L3MBTL1ALDH1A1
SCHEMBL7932759 0.84 SYK (0.37) NFE2L2SYKMAPK1L3MBTL1ALDH1A1
SCHEMBL7932563 0.81 ERN1 (0.44) NFE2L2ABCG2SYKTNKSTNKS2
SCHEMBL8166828 0.78 PTGS2 (0.38) NFE2L2CYP1A2L3MBTL1ALDH1A1RAB9A
SCHEMBL8166833 0.78 PTGS2 (0.38) NFE2L2CYP1A2L3MBTL1ALDH1A1RAB9A
SCHEMBL4425113 0.74 SYK (0.56) SYKTNKS2MAPK1L3MBTL1ALDH1A1
SCHEMBL13241158 0.73 TNKS (0.53) NFE2L2SYKACHETNKSTNKS2
SCHEMBL1044693 0.73 NFE2L2 (0.51) NFE2L2SYKTNKSTNKS2PDCD1
SCHEMBL1683976 0.72 RARB (0.51) ABCG2MAPK1L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 — — EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 — — US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 — — EP disclosed
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