SCHEMBL9348686

SCHEMBL9348686

COc1c(OC)c(OC)c2c(=O)c3ccc(OCc4ccccc4)c(OC)c3[nH]c2c1C(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL9348380 0.88 CTSV (0.44) CTSVCTSLKMT2AMEN1SIRT2
SCHEMBL9348689 0.81 CTSV (0.39) CTSVCTSLKMT2ASIRT2ALDH1A1
SCHEMBL9348475 0.79 ALDH1A1 (0.37) CTSVCTSLKMT2AMEN1SIRT2
SCHEMBL9348479 0.77 ADORA3 (0.48) CTSVCTSLKMT2AMEN1POLB
SCHEMBL9352203 0.70 CTSV (0.46) CTSVCTSLKMT2AMEN1SIRT2
SCHEMBL10493397 0.65 CLEC4M (0.56) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7835758 0.65 ERN1 (0.43) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL9349831 0.65 CTSV (0.58) CTSVALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9348484 0.63 ALDH1A1 (0.36) CTSVCTSLKMT2AMEN1SIRT2
SCHEMBL9352534 0.63 CTSV (0.51) CTSVCTSLGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO disclosed