SCHEMBL6597688

SCHEMBL6597688

CC(C)(C)c1csc(-c2cc3cc(C(=O)n4cc(C(=O)O)c5ccccc54)ccc3o2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 7/20 0.38
PTPRF P10586 5/20 0.38
PTPN2 P17706 5/20 0.38
PTPN1 P18031 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 3/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6598485 0.88 ALDH1A1 (0.39) CREBBPALDH1A1MAPTKMT2AKDM4E
SCHEMBL6600889 0.86 ALDH1A1 (0.38) ALDH1A1MAPTKMT2APTPRFPTPN2
SCHEMBL6598555 0.80 PLK1 (0.42) ALDH1A1MAPTKMT2APTPRFPTPN2
SCHEMBL6598772 0.80 TP53 (0.45) ALDH1A1MAPTKMT2APTPRFPTPN2
SCHEMBL6598766 0.77 AKR1C3 (0.34) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL6599969 0.76 SMN1; SMN2 (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6598130 0.76 NPC1 (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6602677 0.75 ELANE (0.33) ALDH1A1MAPTKMT2APTPRFPTPN2
SCHEMBL6599202 0.74 STAT3 (0.42) ALDH1A1MAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL6598785 0.74 NPC1 (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1

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