SCHEMBL13918239

SCHEMBL13918239

CCOC(=O)C1CCCC(NC(=O)c2cc(C(=O)OC)ccc2OCCCc2ccc(OCCCCOc3ccccc3)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.73
OPRK1 P41145 2/20 0.41
LTA4H P09960 3/20 0.41
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
CASP6 P55212 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4521894 0.94 CYSLTR2 (0.78) CYSLTR2OPRK1LTA4HRAB9AALDH1A1
SCHEMBL13932995 0.92 CYSLTR2 (0.75) CYSLTR2OPRK1LTA4HRAB9AALDH1A1
SCHEMBL4524350 0.92 CYSLTR2 (0.74) CYSLTR2OPRK1LTA4HRAB9AALDH1A1
SCHEMBL13918382 0.89 CYSLTR2 (0.66) CYSLTR2OPRK1RAB9ANPC1POLB
SCHEMBL13918341 0.89 CYSLTR2 (0.70) CYSLTR2LTA4HRAB9ANPC1POLB
SCHEMBL13918369 0.88 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918366 0.88 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918361 0.88 CYSLTR2 (0.67) CYSLTR2
SCHEMBL4521604 0.88 CYSLTR2 (0.68) CYSLTR2OPRK1RAB9AALDH1A1NPC1
SCHEMBL4518460 0.88 CYSLTR2 (0.69) CYSLTR2OPRK1LTA4HRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed