SCHEMBL10733641

SCHEMBL10733641

CCCc1c(OCc2ccc(CCBr)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.62
CYSLTR2 Q9NS75 9/20 0.62
GRM2 Q14416 6/20 0.59
CTSD P07339 1/20 0.56
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C9 P11712 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.53
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL10728415 0.93 CYSLTR1 (0.60) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL10728099 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL2894682 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL481227 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL9120538 0.86 MAPT (0.67) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL6247085 0.85 CYSLTR1 (0.74) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL7958997 0.84 CTSD (0.63) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL13617683 0.84 CYSLTR1 (0.61) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL6246997 0.83 CYSLTR1 (0.63) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL10732133 0.83 CYSLTR1 (0.60) CYSLTR1CYSLTR2GRM2CTSDPPARG

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-4675334-A Tetrazolyl compounds and their use as anti allergic agents LILLY INDUSTRIES LIMITED (GB) 1987-06-23 US disclosed