SCHEMBL8318602

SCHEMBL8318602

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ MEN1 O00255 3/20 0.75
▸ KMT2A Q03164 3/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ KDM4E B2RXH2 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ CYP3A4 P08684 2/20 0.75
▸ HBB P68871 2/20 0.75
▸ CASP1 P29466 1/20 0.75
▸ CASP7 P55210 1/20 0.75
▸ TP53 P04637 2/20 0.72
▸ GLA P06280 2/20 0.72
▸ HPGD P15428 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

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
SCHEMBL27476036 0.94 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6830590 0.93 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL27373391 0.91 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3142510 0.91 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29994505 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1035263 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9384862 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8887416 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30662065 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28363378 0.90 TOP1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802738-B2 Polyesters with grafted zwitterions UNIVERSITY OF MASSACHUSETTS (US) 2014-08-12 — — US disclosed
US-20110319570-A1 POLYESTERS WITH GRAFTED ZWITTERIONS UNIVERSITY OF MASSACHUSETTS (US) 2011-12-29 — — US disclosed
US-5932709-A REACTING DISACCHARIDE WITH PROTECTING REAGENT, REACTING PRODUCT WITH HALOGENATING AGENT, REACTING WITH REDUCING AGENT TO FORM DISACCHARIDE GLYCAL UNIVERSITY OF MICHIGAN (US) 1999-08-03 — — US disclosed
US-5677286-A ANTICANCER AGENTS THE UNIVERSITY OF MICHIGAN (US) 1997-10-14 — — US disclosed
WO-1996034003-A1 GLYCOSYLATED ANALOGS OF CAMPTOTHECIN UNIVERSITY OF MICHIGAN (US) 1996-10-31 — — WO disclosed
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