SCHEMBL28095758

SCHEMBL28095758

Nc1cc(C(c2ccccc2)c2ccccc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
GAA P10253 6/20 0.57
ALOX12 P18054 3/20 0.57
HTT P42858 2/20 0.57
HIF1A Q16665 1/20 0.57
ALOX15 P16050 5/20 0.52
HSD17B10 Q99714 5/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP2 O75604 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
PKM P14618 2/20 0.50
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.39

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
SCHEMBL13784871 1.00 ALDH1A1 (0.57) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL18382558 0.86 ALDH1A1 (0.59) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL5826226 0.84 ALOX15 (0.45) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL28095759 0.84 ALOX15 (0.45) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL27863572 0.81 SLC6A2 (0.43) ALDH1A1ALOX15MEN1KMT2ATSHR
SCHEMBL19806918 0.81 ALOX5 (0.46) HIF1AALOX15HSD17B10MAPTHPGD
SCHEMBL24282281 0.77 ALDH1A1 (0.53) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL29015129 0.77 ALDH1A1 (0.62) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL833877 0.76 SHBG (0.47) HSD17B10KDM4ELMNAHDAC1HDAC8
SCHEMBL31620715 0.76 ESR1 (0.47) ALDH1A1GAAALOX12HIF1AALOX15

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-105921037-A Method for preparing porous gas separation membrane material with thermally-induced rigid structure 辽宁科技大学 2016-09-07 CN disclosed