SCHEMBL28879160

SCHEMBL28879160

c1ccc(-c2ccc(-c3ccccc3-c3ccco3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
BLM P54132 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
ESR1 P03372 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
PIK3R1 P27986 2/20 0.49
PIK3CA P42336 2/20 0.49
SMARCA2 P51531 1/20 0.49
PBRM1 Q86U86 1/20 0.49

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
SCHEMBL29755699 0.96 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7116127 0.96 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL29007097 0.84 MAPT (0.53) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7404185 0.82 TAAR1 (0.64) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL28879182 0.80 ABL1 (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL24689433 0.78 PIK3R1 (0.46) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL28583448 0.77 GSTP1 (0.53) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL162083 0.77 TAAR1 (0.62) KDM4EALDH1A1HSD17B10HPGDMEN1
Tannin Pyrogallol SCHEMBL13685561 0.76 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDMEN1BLM
SCHEMBL5951150 0.76 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDMEN1BLM

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
CN-110143935-B Preparation method of 2, 5-disubstituted furan derivative 华侨大学 2022-09-30 CN disclosed