SCHEMBL4060340

SCHEMBL4060340

O=C(O)CC1(CSC2c3cc(C=Cc4ccc5cc(F)c(F)cc5n4)ccc3C=Cc3ncccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 18/20 0.37
CYSLTR2 Q9NS75 17/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
FYN P06241 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL13765250 1.00 CYSLTR1 (0.37) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL4051156 0.94 CYSLTR1 (0.37) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL4051159 0.94 CYSLTR1 (0.37) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL4054597 0.86 CYSLTR1 (0.38) CYSLTR1CYSLTR2MEN1KMT2AABCB11
SCHEMBL4054596 0.86 CYSLTR1 (0.38) CYSLTR1CYSLTR2MEN1KMT2AABCB11
SCHEMBL4242175 0.83 CYSLTR1 (0.36) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL4242181 0.83 CYSLTR1 (0.36) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL13765251 0.81 CYSLTR1 (0.39) CYSLTR1CYSLTR2MEN1KMT2AABCB11
SCHEMBL7246118 0.79 CYSLTR1 (0.39) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL7246112 0.79 CYSLTR1 (0.39) CYSLTR1CYSLTR2MEN1RECQLBLM

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-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed