SCHEMBL6598798

SCHEMBL6598798

Cc1c(CC(=O)O)c2cc(OCCCC(=O)O)ccc2n1Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 13/20 0.57
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
PMP22 Q01453 2/20 0.43
MEN1 O00255 1/20 0.43
RGS12 O14924 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
GNAI1 P63096 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6598714 0.92 PLA2G2A (0.49) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL6597517 0.92 PLA2G2A (0.47) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL7476201 0.92 PLA2G2A (0.52) PLA2G2APLA2G1BPTGDR2
SCHEMBL6601721 0.89 PLA2G2A (0.42) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL6600890 0.87 PTGDR2 (0.45) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL6599833 0.84 PLA2G2A (0.47) PLA2G2A
SCHEMBL8664601 0.83 THRA (0.42)
SCHEMBL6598794 0.82 PLA2G2A (0.47) PLA2G2A
SCHEMBL8624729 0.78 THRA (0.46) PLA2G2A
SCHEMBL6598501 0.78 PLA2G2A (0.38) PLA2G2A

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