SCHEMBL31361425

SCHEMBL31361425

COc1ccc(CO)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.60
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMPD1 P17405 2/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ABCB1 P08183 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 2/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL3239903 1.00 BCHE (0.60) BCHEMAPK1HSD17B10SMPD1HDAC1
SCHEMBL31725848 0.94 NPC1 (0.63) BCHEHSD17B10ABCB1ABCG2KDM4E
SCHEMBL698056 0.94 NPC1 (0.63) BCHEHSD17B10ABCB1ABCG2KDM4E
SCHEMBL584781 0.90 SLC2A1 (0.56) BCHEHSD17B10HTTSMN1; SMN2KMT2A
SCHEMBL30280404 0.90 SLC2A1 (0.56) BCHEHSD17B10HTTSMN1; SMN2KMT2A
SCHEMBL12296058 0.88 BCHE (0.61) BCHEMAPK1HSD17B10SMPD1HDAC1
SCHEMBL6489381 0.87 NPC1 (0.56) BCHESMPD1KDM4ELMNAHTT
SCHEMBL6035606 0.86 MEN1 (0.60) MAPK1HSD17B10KDM4ELMNAHTT
SCHEMBL8554822 0.85 MAPK1 (0.64) BCHEMAPK1HSD17B10SMPD1HDAC1
SCHEMBL5753220 0.85 SRD5A1 (0.53) BCHESMPD1HDAC1HDAC8HDAC6

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed