SCHEMBL9713508

SCHEMBL9713508

CCOC(=O)CC(C)Sc1nnc(S)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9383704 0.86 ALDH1A1 (0.40) ALDH1A1GAAHPGDLMNATP53
SCHEMBL9385778 0.81 ALDH1A1 (0.55) ALDH1A1HPGDLMNATP53L3MBTL1
SCHEMBL8957668 0.77 ALDH1A1 (0.68) ALDH1A1GAAHPGDLMNAL3MBTL1
SCHEMBL16886213 0.74 ALDH1A1 (0.56) ALDH1A1GAAHPGDL3MBTL1HSD17B10
SCHEMBL17117782 0.73 ALDH1A1 (0.43) ALDH1A1GAAHPGDLMNAL3MBTL1
SCHEMBL9385118 0.72 ALDH1A1 (0.48) ALDH1A1GAAHPGDL3MBTL1KDM4E
SCHEMBL7676528 0.72 ALDH1A1 (0.78) ALDH1A1HPGDLMNAKDM4EAPOBEC3G
SCHEMBL9383875 0.71 ALDH1A1 (0.47) ALDH1A1GAAHPGDKDM4ETSHR
SCHEMBL9639601 0.71 NAAA (0.39) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL9639106 0.71 NAAA (0.39) ALDH1A1GAAL3MBTL1MEN1KMT2A

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
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed