SCHEMBL8485168

SCHEMBL8485168

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(CCC(=O)O)cc3nc2-1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ GLA P06280 3/20 0.72
▸ TP53 P04637 2/20 0.72
▸ HPGD P15428 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ HBB P68871 2/20 0.72
▸ STAT6 P42226 1/20 0.72
▸ CHEK1 O14757 1/20 0.72
▸ HDAC3 O15379 1/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ GMNN O75496 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ HNRNPA1 P09651 1/20 0.72
▸ GAA P10253 1/20 0.72

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
SCHEMBL27478766 0.94 TOP1 (0.72) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8483707 0.94 TOP1 (0.77) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8486821 0.94 TOP1 (0.72) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8484226 0.93 TOP1 (0.71) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27463174 0.93 TOP1 (0.71) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27477079 0.92 TOP1 (0.74) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8482250 0.92 TOP1 (0.71) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27477503 0.92 TOP1 (0.71) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8481454 0.91 TOP1 (0.74) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27478375 0.91 TOP1 (0.74) TOP1ALDH1A1MEN1KMT2ASMN1; 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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