SCHEMBL2554824

SCHEMBL2554824

COc1ccc2[nH]c(-c3cccc(C)c3)c(C=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
AHR P35869 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL1429263 0.87 MTNR1A (0.65) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL2558018 0.87 MEN1 (0.47) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL15331280 0.87 PTGS2 (0.46) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL15330931 0.86 MAPK13 (0.53) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL15332362 0.86 ALDH1A1 (0.60) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL15331284 0.86 ALDH1A1 (0.56) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL28402701 0.84 MTNR1A (0.55) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL5161888 0.83 KDM4E (0.56) MTNR1AMTNR1BAHRALDH1A1HPGD
SCHEMBL15330064 0.82 CTSV (0.54) MTNR1AMTNR1BAHRALDH1A1MEN1
SCHEMBL2561299 0.82 KDM4E (0.45) ALDH1A1HPGDKDM4EMEN1MAPT

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