SCHEMBL6599513

SCHEMBL6599513

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.35
PLA2G2A P14555 4/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
S1PR3 Q99500 1/20 0.33
LTB4R Q15722 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 1/20 0.33
FFAR1 O14842 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
SYK P43405 1/20 0.32
PLA2G4A P47712 1/20 0.32
TP53 P04637 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 0.93 S1PR1 (0.36) S1PR1PLA2G2ATHRATHRBS1PR3
SCHEMBL6598918 0.93 S1PR1 (0.36) S1PR1PLA2G2ATHRATHRBS1PR3
SCHEMBL6598501 0.90 PLA2G2A (0.38) S1PR1PLA2G2ATHRATHRBS1PR3
SCHEMBL6597512 0.87 PLA2G2A (0.37) S1PR1PLA2G2ATHRATHRBS1PR3
SCHEMBL6601202 0.86 S1PR1 (0.39) S1PR1PLA2G2ATHRATHRBS1PR3
SCHEMBL5807179 0.83 KMT2A (0.33) PLA2G2ATHRATHRBLTB4RALDH1A1
SCHEMBL6603373 0.82 PPARD (0.44) PLA2G2ALTB4R
SCHEMBL6598794 0.81 PLA2G2A (0.47) S1PR1PLA2G2ATHRATHRBS1PR3
SCHEMBL6597517 0.81 PLA2G2A (0.47) PLA2G2AALDH1A1MAPT
SCHEMBL6599833 0.80 PLA2G2A (0.47) S1PR1PLA2G2ATHRATHRB

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 5 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
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed