SCHEMBL8890576

SCHEMBL8890576

CC(C)c1csc(COc2ccc3c(c2)C(O)C(Cc2cccc(N)c2)CC3)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.35
CYSLTR1 Q9Y271 4/20 0.35
ALOX5AP P20292 1/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ALB P02768 1/20 0.32
LTB4R Q15722 2/20 0.31

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
SCHEMBL8888639 0.85 CYSLTR1 (0.36) CYSLTR2CYSLTR1DRD2HTR2ALTB4R
SCHEMBL8889600 0.85 CYSLTR1 (0.50) CYSLTR2CYSLTR1LTB4R
SCHEMBL8889424 0.78 CYSLTR1 (0.48) CYSLTR2CYSLTR1ALOX5APKMT2ASMN1; SMN2
SCHEMBL8889206 0.77 CYSLTR1 (0.58) CYSLTR2CYSLTR1KMT2ASMN1; SMN2RAB9A
SCHEMBL8890412 0.76 LTB4R (0.53) CYSLTR2CYSLTR1ALOX5APLTB4R
SCHEMBL8889659 0.74 LTB4R (0.44) CYSLTR2CYSLTR1ALOX5APLTB4R
SCHEMBL8889158 0.74 LTB4R (0.44) CYSLTR2CYSLTR1ALOX5APLTB4R
SCHEMBL8890691 0.73 ESR1 (0.47) DRD2HTR2A
SCHEMBL8889669 0.71 CYSLTR1 (0.51) CYSLTR2CYSLTR1LTB4R
SCHEMBL8899272 0.69 CYSLTR1 (0.49) CYSLTR2CYSLTR1LTB4R

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