SCHEMBL8480459

SCHEMBL8480459

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCC(=O)c4ccccc4)cccc3nc2-1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ ALDH1A1 P00352 3/20 0.72
▸ GLA P06280 3/20 0.72
▸ RECQL P46063 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ KDM4E B2RXH2 3/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ TP53 P04637 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ ABCC4 O15439 2/20 0.69
▸ HTT P42858 2/20 0.69
▸ STAT6 P42226 1/20 0.69
▸ CHEK1 O14757 1/20 0.69
▸ HDAC3 O15379 1/20 0.69

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
SCHEMBL27504835 1.00 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8481539 0.92 TOP1 (0.86) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8484359 0.92 TOP1 (0.84) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27479908 0.92 TOP1 (0.84) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8485455 0.91 TOP1 (0.83) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27464421 0.91 TOP1 (0.83) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27363066 0.90 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8486186 0.90 TOP1 (0.67) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27478378 0.90 TOP1 (0.67) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8486347 0.90 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP claimed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO claimed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US disclosed
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP disclosed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO disclosed
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