SCHEMBL4652909

SCHEMBL4652909

CCCCC(CC)COc1sc(C(=O)O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 4/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 3/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MAPK1 P28482 3/20 0.45
TSHR P16473 4/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4651844 0.85 PLK1 (0.46) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4652910 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4651707 0.80 TSHR (0.48) ALDH1A1CYP3A4LMNATSHRTDP1
SCHEMBL4652887 0.80 TSHR (0.48) ALDH1A1CYP3A4LMNATSHRTDP1
SCHEMBL4651612 0.80 TSHR (0.48) ALDH1A1CYP3A4LMNATSHRTDP1
SCHEMBL31750409 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL128501 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL31751235 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30343699 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29281966 0.73 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1

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
EP-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed