SCHEMBL8486347

SCHEMBL8486347

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 1.00
▸ GLA P06280 3/20 0.72
▸ RECQL P46063 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ KDM4E B2RXH2 3/20 0.71
▸ POLB P06746 2/20 0.71
▸ MAPT P10636 2/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ ABCC3 O15438 1/20 0.68
▸ ABCC4 O15439 1/20 0.68
▸ ACHE P22303 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ ABCC2 Q92887 1/20 0.68
▸ NPC1 O15118 1/20 0.68

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
SCHEMBL27462223 1.00 TOP1 (1.00) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL8481539 0.92 TOP1 (0.86) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL8484359 0.92 TOP1 (0.84) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL27479908 0.92 TOP1 (0.84) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL8485455 0.91 TOP1 (0.83) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL27464421 0.91 TOP1 (0.83) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL27363066 0.90 TOP1 (0.81) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL8480459 0.90 TOP1 (0.81) TOP1GLARECQLTDP1SMN1; SMN2
SCHEMBL27504835 0.90 TOP1 (0.81) TOP1GLARECQLTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL27363068 0.89 TOP1 (0.80) TOP1GLARECQLTDP1SMN1; 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 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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