SCHEMBL2557535

SCHEMBL2557535

C#CCNC(=O)C(C)Oc1ccc(C=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
FDPS P14324 1/20 0.47
POLB P06746 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
TTR P02766 1/20 0.44
CYP2C9 P11712 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.43

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
SCHEMBL2558879 0.95 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL29951719 0.86 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL15331074 0.84 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL15330511 0.83 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL2553498 0.82 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL29956887 0.81 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL2561138 0.81 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL2560234 0.81 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2FDPSPOLB
SCHEMBL2561388 0.80 RAB9A (0.47) ALDH1A1TSHRSMN1; SMN2POLBRAB9A
SCHEMBL2563059 0.80 ALDH1A3 (0.49) ALDH1A1SMN1; SMN2POLBNPC1RAB9A

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