SCHEMBL6598918

SCHEMBL6598918

CCOC(=O)CCCOc1ccc2c(c1)c(/C=C/C(=O)O)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLA2G2A P14555 4/20 0.35
S1PR3 Q99500 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
FFAR1 O14842 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6598919 1.00 S1PR1 (0.36) S1PR1LTB4RLTB4R2MEN1KMT2A
SCHEMBL6599513 0.93 S1PR1 (0.35) S1PR1LTB4RPLA2G2AS1PR3THRA
SCHEMBL6598501 0.90 PLA2G2A (0.38) S1PR1PLA2G2AS1PR3THRATHRB
SCHEMBL6601202 0.86 S1PR1 (0.39) S1PR1PLA2G2AS1PR3THRATHRB
SCHEMBL6597512 0.85 PLA2G2A (0.37) S1PR1PLA2G2AS1PR3THRATHRB
SCHEMBL5808071 0.84 LTB4R (0.34) S1PR1LTB4RLTB4R2MEN1KMT2A
SCHEMBL5808083 0.84 LTB4R (0.34) S1PR1LTB4RLTB4R2MEN1KMT2A
SCHEMBL5812485 0.83 LTB4R (0.34) LTB4RLTB4R2MEN1KMT2APLA2G2A
SCHEMBL5812476 0.83 LTB4R (0.34) LTB4RLTB4R2MEN1KMT2APLA2G2A
SCHEMBL6603373 0.81 PPARD (0.44) LTB4RLTB4R2PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed