SCHEMBL2558898

SCHEMBL2558898

CCNC(=O)COc1c(C)cc(C=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 1/20 0.52
SRC P12931 1/20 0.47
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL2559119 0.88 BCHE (0.49) ALDH1A1HPGDSRCKMT2ALMNA
SCHEMBL2558950 0.86 ALDH1A1 (0.46) ALDH1A1HPGDSRCKMT2ALMNA
SCHEMBL2556551 0.85 ALDH1A1 (0.44) ALDH1A1HPGDSRCKMT2ASMN1; SMN2
SCHEMBL2554336 0.84 ALDH1A1 (0.54) ALDH1A1SRCKMT2ARAB9ALMNA
SCHEMBL2557183 0.84 SRC (0.44) ALDH1A1HPGDSRCKMT2ARAB9A
SCHEMBL2558870 0.84 ALDH1A1 (0.56) ALDH1A1HPGDSRCKMT2ALMNA
SCHEMBL2561651 0.84 SMN1; SMN2 (0.46) ALDH1A1HPGDSRCKMT2ARAB9A
SCHEMBL2559225 0.84 SRC (0.44) ALDH1A1HPGDSRCKMT2ALMNA
SCHEMBL2560642 0.83 HPGD (0.56) ALDH1A1HPGDSRCKMT2ALMNA
SCHEMBL2562712 0.83 KDM4E (0.46) ALDH1A1HPGDSRCKMT2ALMNA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed