SCHEMBL8957182

SCHEMBL8957182

CNC(=O)c1ccc(O)c(CC2CC2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LTB4R Q15722 4/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KAT2B Q92831 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ TAS1R2 Q8TE23 2/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL9821889 0.84 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8957213 0.83 PTGER4 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6934282 0.81 HSP90AB1 (0.44) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8957045 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8957202 0.76 PLK1 (0.46) CYP1A2CYP2C9EGFRGAALMNA
SCHEMBL26296693 0.74 SELL (0.56) ALDH1A1EGFRGAAMEN1MAPT
SCHEMBL8957203 0.73 ALDH1A1 (0.44) ALDH1A1EGFRGAAMEN1LMNA
SCHEMBL8878063 0.72 ACHE (0.44) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19182762 0.69 EGFR (0.41) EGFRGAACXCR2PLK1
SCHEMBL3365582 0.69 TERT (0.59) ALDH1A1EGFRGAATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532383-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1996-07-02 — — US disclosed
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 — — EP disclosed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 — — US disclosed
US-5310951-A Benzopyran-2-propanoic acid derivatives; antiinflammatory agents G.D. SEARLE & CO. (US) 1994-05-10 — — US disclosed
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 — — EP disclosed
US-5124350-A Antiinflammatory agent G. D. SEARLE & CO. (US) 1992-06-23 — — US disclosed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 — — WO disclosed
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