SCHEMBL6600890

SCHEMBL6600890

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.45
PLA2G2A P14555 9/20 0.44
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
PMP22 Q01453 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
RGS12 O14924 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
GNAI1 P63096 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.89 PLA2G2A (0.49) PTGDR2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL6598798 0.87 PLA2G2A (0.57) PTGDR2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL6601721 0.86 PLA2G2A (0.42) PTGDR2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL6599124 0.84 PLA2G2A (0.42) PLA2G2ATHRATHRBLMNAALDH1A1
SCHEMBL6597517 0.83 PLA2G2A (0.47) PTGDR2PLA2G2ALMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8470607 0.83 PLA2G2A (0.42) PLA2G2ATHRATHRBLMNAALDH1A1
SCHEMBL7476201 0.83 PLA2G2A (0.52) PTGDR2PLA2G2APLA2G1B
Hydrochloric Acid SCHEMBL6598688 0.80 CYP26A1 (0.38) PLA2G2AALDH1A1MEN1KMT2ACYP26A1
SCHEMBL6601171 0.78 MAPT (0.43) LMNATSHRALDH1A1MAPTPKM
SCHEMBL7533433 0.78 APP (0.35) LMNAALDH1A1KDM4ECYP26A1CYP26B1

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