SCHEMBL9300809

SCHEMBL9300809

Oc1ccc2cc3c(O)c(O)c(O)c(O)c3c(O)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.43
RNASEH1 O60930 1/20 0.43
GPR35 Q9HC97 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 3/20 0.39
RECQL P46063 3/20 0.39
HSD17B10 Q99714 3/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 2/20 0.39
APEX1 P27695 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 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
SCHEMBL31256472 0.78 ALDH1A1 (0.69) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL372102 0.77 PIM1 (0.43) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL9300813 0.77 HIF1A (0.38) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL28892080 0.74 CDK2 (0.44) PTPN11RNASEH1GPR35ATG4BMEN1
SCHEMBL29032121 0.73 SRC (0.40) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL2114515 0.73 PTPN22 (0.50) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL11107827 0.69 PTPN22 (0.63) PTPN11RNASEH1GPR35ATG4BMEN1
SCHEMBL18068463 0.69 PTPN22 (0.56) ALDH1A1KDM4EMAPTALOX15RECQL
SCHEMBL16816392 0.68 CASP6 (0.47) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL20356048 0.67 MGAM (0.47) PTPN11RNASEH1GPR35ATG4BMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276174-A Alk-1-enyloxy carbonates ISP INVESTMENTS INC. (US) 1994-01-04 US disclosed
EP-0514482-A4 VINYL ETHER COMPOUNDS 1993-04-21 EP disclosed
EP-0514482-A1 VINYL ETHER COMPOUNDS ISP INVESTMENTS INC. (US) 1992-11-25 EP disclosed
WO-1991013052-A1 VINYL ETHER COMPOUNDS ISP INVESTMENTS INC. (US) 1991-09-05 WO disclosed