SCHEMBL17448111

SCHEMBL17448111

O=C1CCC(=O)c2c1cc1cccc(O)c1c2O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
DNMT1 P26358 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
MCL1 Q07820 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
POLB P06746 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
CDK2 P24941 2/20 0.46
TP53 P04637 2/20 0.46
CASP7 P55210 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL16433100 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL28284057 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL17464268 0.75 MAPT (0.42) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL5793477 0.74 MAOA (0.56) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL17464265 0.73 PIM1 (0.50) ALDH1A1MEN1KMT2AMCL1POLB
SCHEMBL3198 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL12391573 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL17866881 0.70 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL29884623 0.70 MEN1 (0.44) ALDH1A1MEN1KMT2ADNMT1CACNA1B
Anthralin SCHEMBL3796934 0.69 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ADNMT1CACNA1B

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-9244350-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-26 US disclosed