SCHEMBL9348689

SCHEMBL9348689

COCOCc1c(OC)c(OC)c(OC)c2c(=O)c3ccc(OCc4ccccc4)c(OC)c3[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
KCNA3 P22001 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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 0.87 CTSV (0.44) CTSVCTSLALDH1A1KDM4EHPGD
SCHEMBL9348686 0.81 CTSV (0.41) CTSVCTSLALDH1A1KDM4EHPGD
SCHEMBL9348484 0.80 ALDH1A1 (0.36) CTSVCTSLALDH1A1KDM4EHPGD
SCHEMBL9348479 0.76 ADORA3 (0.48) CTSVCTSLALDH1A1KDM4EKMT2A
SCHEMBL9352203 0.69 CTSV (0.46) CTSVCTSLALDH1A1KDM4EHPGD
SCHEMBL10493397 0.65 CLEC4M (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL7835758 0.64 ERN1 (0.43) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL9348475 0.64 ALDH1A1 (0.37) CTSVCTSLALDH1A1KDM4EHPGD
SCHEMBL9349831 0.64 CTSV (0.58) CTSVALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9349850 0.64 CTSV (0.51) CTSVCTSLKDM4EHPGDSMN1; SMN2

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