SCHEMBL8329526

SCHEMBL8329526

CCOC(=O)c1ccc(C(C)c2cc3c(cc2F)SC(C)(C)CC3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
WRN Q14191 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 7/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ESR1 P03372 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ESR2 Q92731 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 4/20 0.34

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
SCHEMBL8329530 0.80 KMT2A (0.39) MAPK1WRNALDH1A1HPGDSMN1; SMN2
SCHEMBL6589030 0.79 PRKCA (0.39) MAPK1WRNALDH1A1HPGDSMN1; SMN2
SCHEMBL727818 0.74 CYP3A4 (0.46) MAPK1WRNALDH1A1HPGDSMN1; SMN2
SCHEMBL6591091 0.69 KMT2A (0.38) ALDH1A1SMN1; SMN2KDM4EHSD17B10L3MBTL1
SCHEMBL6595226 0.66 CYP3A4 (0.63) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10765175 0.66 CA1 (0.56) HPGDSMN1; SMN2MAPTTSHRCA12
SCHEMBL18823837 0.63 CA1 (0.59) ALDH1A1HPGDSMN1; SMN2MAPTTSHR
SCHEMBL26325510 0.63 CA12 (0.51) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10382360 0.63 HTT (0.42) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL570567 0.63 LMNA (0.67) ALDH1A1HPGDSMN1; SMN2MAPTL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed