SCHEMBL4248092

SCHEMBL4248092

COc1cc(OC)c(C(C)C)cc1-c1ncoc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
P2RX3 P56373 6/20 0.37
P2RX2 Q9UBL9 6/20 0.37
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
AAK1 Q2M2I8 5/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
IMPDH2 P12268 4/20 0.32
IMPDH1 P20839 2/20 0.32

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
SCHEMBL4065989 0.89 POLB (0.39) POLBHSD17B10MAPTHPGDTSHR
SCHEMBL13848381 0.82 RXRA (0.41) KMT2A
SCHEMBL4069820 0.77 HSP90AA1 (0.46)
SCHEMBL4246535 0.73 MAPK14 (0.43) P2RX3P2RX2LMNAGAAIMPDH2
SCHEMBL4064309 0.73 NOTUM (0.41) MAPTHPGDLMNA
SCHEMBL28166742 0.72 HPGD (0.49) POLBHSD17B10MAPTHPGDTSHR
SCHEMBL4241628 0.72 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL4058858 0.70 P2RX3 (0.36) HSD17B10MAPTHPGDP2RX3P2RX2
SCHEMBL4071820 0.69 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL4243902 0.68 IMPDH2 (0.56) AAK1IMPDH2IMPDH1

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed