SCHEMBL2560146

SCHEMBL2560146

COCCNC(=O)COc1cccc(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
PPARD Q03181 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 1/20 0.47
HTT P42858 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47

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
SCHEMBL2554866 0.93 HPGD (0.53) HPGDCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2559020 0.87 ALDH1A1 (0.57) TSHRPPARDKDM4ENPC1RAB9A
SCHEMBL29957242 0.85 TSHR (0.56) TSHRKDM4ENPC1RAB9ATDP1
SCHEMBL2554470 0.84 CYP1A2 (0.67) HPGDCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL29952545 0.84 ALDH1A1 (0.60) HPGDKDM4ENPC1RAB9ATDP1
SCHEMBL15330338 0.84 HTT (0.56) HPGDGAAKDM4ENPC1RAB9A
SCHEMBL13932642 0.81 UNG (0.54) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL2555642 0.81 MEN1 (0.46) HPGDNPC1RAB9ATDP1MEN1
SCHEMBL15329632 0.81 ALDH1A1 (0.58) NPC1RAB9ATDP1KMT2AHTT
SCHEMBL9868600 0.81 CYP1A2 (0.89) HPGDCYP1A2CYP2C9CYP2C19CYP3A4

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