SCHEMBL8887416

SCHEMBL8887416

CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ ALDH1A1 P00352 3/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ HBB P68871 2/20 0.79
▸ CASP1 P29466 1/20 0.79
▸ CASP7 P55210 1/20 0.79
▸ TP53 P04637 2/20 0.76
▸ GLA P06280 2/20 0.76
▸ HPGD P15428 2/20 0.76
▸ STAT6 P42226 1/20 0.76
▸ CHEK1 O14757 1/20 0.76
▸ HDAC3 O15379 1/20 0.76
▸ ABCC4 O15439 1/20 0.76
▸ GMNN O75496 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ CYP1A2 P05177 1/20 0.76

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
SCHEMBL9384862 1.00 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30662065 1.00 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29994505 1.00 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1035263 1.00 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2245850 0.93 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL19521247 0.93 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6830590 0.92 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL25932511 0.92 TOP1 (0.69) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29229512 0.92 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30516672 0.91 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700939-A Intermediates useful in camptothecin synthesis SMITHKLINE BEECHAM CORPORATION (US) 1997-12-23 — — US disclosed
US-5541329-A Intermediates prepared in an asymmetric total synthesis of camptothecin analogs SMITHKLINE BEECHAM CORPORATION (US) 1996-07-30 — — US disclosed
EP-0705262-A1 PROCESS FOR ASYMMETRIC TOTAL SYNTHESIS OF CAMPTOTHECIN SMITHKLINE BEECHAM CORPORATION (US) 1996-04-10 — — EP disclosed
EP-0705262-A4 PROCESS FOR ASYMMETRIC TOTAL SYNTHESIS OF CAMPTOTHECIN SMITHKLINE BEECHAM CORP (US) 1996-02-13 — — EP disclosed
US-5468859-A Process for asymmetric total synthesis of camptothecin analogues SMITHKLINE BEECHAM CORPORATION (US) 1995-11-21 — — US disclosed
US-5405963-A Process for asymmetric total synthesis of camptothecin analogues SMITHKLINE BEECHAM CORPORATION (US) 1995-04-11 — — US disclosed
WO-1994029310-A1 PROCESS FOR ASYMMETRIC TOTAL SYNTHESIS OF CAMPTOTHECIN SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 — — WO disclosed
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