SCHEMBL2551841

SCHEMBL2551841

CC(=O)CCc1ccc2oc(C(=O)O)c(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.57
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR35 Q9HC97 1/20 0.50
NR1H4 Q96RI1 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8700102 0.86 MCL1 (0.60) MCL1KDM4ERAB9AALDH1A1HPGD
SCHEMBL1065625 0.84 MCL1 (0.61) MCL1KDM4ERAB9AALDH1A1HPGD
SCHEMBL7339528 0.81 KDM4E (0.55) MCL1KDM4ERAB9AALDH1A1HPGD
SCHEMBL937858 0.79 MCL1 (0.58) MCL1KDM4ERAB9AALDH1A1HPGD
SCHEMBL1065472 0.76 MCL1 (0.71) MCL1KDM4ERAB9AALDH1A1HPGD
SCHEMBL10735951 0.75 MCL1 (0.65) MCL1KDM4ERAB9AALDH1A1HPGD
SCHEMBL5287590 0.74 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDGAA
SCHEMBL29097541 0.74 GAA (0.54) MCL1RAB9AALDH1A1HPGDGAA
SCHEMBL30621958 0.74 GAA (0.54) MCL1RAB9AALDH1A1HPGDGAA
SCHEMBL4310466 0.73 MCL1 (0.67) MCL1KDM4ERAB9AALDH1A1HPGD

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