SCHEMBL8892971

SCHEMBL8892971

O=S(=O)(Nc1cccc(C[C@H]2CCc3ccc(OCc4ccccc4)cc3[C@H]2O)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
MMP15 P51511 1/20 0.38
MMP16 P51512 1/20 0.38
MMP26 Q9NRE1 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL8892969 1.00 CYSLTR2 (0.45) CYSLTR2CYSLTR1LTB4RLTB4R2CA2
SCHEMBL8890711 0.86 LTB4R (0.40) CYSLTR2CYSLTR1LTB4RLTB4R2CA2
SCHEMBL8890710 0.86 LTB4R (0.40) CYSLTR2CYSLTR1LTB4RLTB4R2CA2
SCHEMBL8898787 0.85 CYSLTR1 (0.53) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8898782 0.85 CYSLTR1 (0.53) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8898722 0.84 CYSLTR1 (0.51) CYSLTR2CYSLTR1LTB4R
SCHEMBL8898717 0.84 CYSLTR1 (0.51) CYSLTR2CYSLTR1LTB4R
SCHEMBL8897252 0.84 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8899272 0.84 CYSLTR1 (0.49) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8899267 0.84 CYSLTR1 (0.49) CYSLTR2CYSLTR1LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed