SCHEMBL17263370

SCHEMBL17263370

Cc1ccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1-c1cc(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.49
HSD17B2 P37059 4/20 0.49
ALOX5 P09917 1/20 0.43
ACMSD Q8TDX5 2/20 0.43
APP P05067 1/20 0.41
TYMS P04818 1/20 0.40
ESR2 Q92731 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL17263369 0.91 ALOX5 (0.52) HSD17B1HSD17B2ALOX5ACMSDAPP
SCHEMBL18255412 0.87 HSD17B1 (0.40) HSD17B1HSD17B2ALOX5APPESR2
SCHEMBL17536894 0.86 TNKS2 (0.41) HSD17B1HSD17B2ACMSDMEN1KMT2A
SCHEMBL17536896 0.86 TNKS2 (0.41) HSD17B1HSD17B2ACMSDMEN1KMT2A
SCHEMBL17057274 0.86 TYMS (0.39) HSD17B1HSD17B2ALOX5ACMSDTYMS
SCHEMBL17536906 0.84 KDM4E (0.45) HSD17B1HSD17B2ESR2MEN1KMT2A
SCHEMBL17536915 0.82 TNKS2 (0.44) HSD17B1HSD17B2ALOX5ESR2MEN1
SCHEMBL17536895 0.82 TNKS2 (0.44) HSD17B1HSD17B2ESR2MEN1KMT2A
SCHEMBL17536897 0.82 TNKS2 (0.44) HSD17B1HSD17B2ESR2MEN1KMT2A
SCHEMBL17263371 0.82 KDM4E (0.39) HSD17B1HSD17B2TYMSMEN1KMT2A

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-9190620-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2015-11-17 US disclosed