SCHEMBL2560080

SCHEMBL2560080

O=CC=Cc1cc(Cc2ccccc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.54
CCND1 P24385 3/20 0.54
IDH1 O75874 1/20 0.54
HNF4A P41235 1/20 0.51
CDK1 P06493 3/20 0.45
CCNB2 O95067 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
ALOX5 P09917 3/20 0.43
MPO P05164 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
XDH P47989 1/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41

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
SCHEMBL2560078 1.00 CDK4 (0.54) CDK4CCND1IDH1HNF4ACDK1
SCHEMBL11457521 0.85 IDH1 (0.63) IDH1HNF4ACDK1MPOACMSD
SCHEMBL2554703 0.78 CDK4 (0.42) CDK4CCND1IDH1HNF4ACDK1
SCHEMBL2556036 0.78 PTPN1 (0.43) CDK4CCND1IDH1CDK1CCNB2
SCHEMBL2556033 0.78 PTPN1 (0.43) CDK4CCND1IDH1CDK1CCNB2
SCHEMBL2554701 0.78 CDK4 (0.42) CDK4CCND1IDH1HNF4ACDK1
SCHEMBL283097 0.77 CDK1 (0.69) IDH1HNF4ACDK1KLKB1CTSB
SCHEMBL1134433 0.75 IDH1 (0.63) IDH1HNF4ACDK1MPOACMSD
SCHEMBL28413174 0.74 ALDH1A1 (0.65) CDK4CCND1CDK1CCNB2CCNB1
SCHEMBL2557276 0.74 KDM4E (0.55) BCL2L1ALDH1A1LMNA

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