SCHEMBL2562992

SCHEMBL2562992

CCC(CC)NC(=O)C(C)Oc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.50
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.40
DRD1 P21728 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL29954060 0.89 ALDH1A3 (0.50) ALDH1A3TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL2557252 0.85 ALDH1A3 (0.56) ALDH1A3ALDH1A1KDM4EDRD1CYP2A6
SCHEMBL15329871 0.85 OGG1 (0.43) TAS1R3TAS1R1ALDH1A1KDM4ERAB9A
SCHEMBL2554827 0.83 ALDH1A3 (0.47) ALDH1A3TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL29955555 0.82 ALDH1A3 (0.53) ALDH1A3ALDH1A1SMN1; SMN2DRD1KMT2A
SCHEMBL2558483 0.80 ALDH1A3 (0.58) ALDH1A3ALDH1A1SMN1; SMN2DRD1KMT2A
SCHEMBL15333466 0.80 ALDH1A3 (0.50) ALDH1A3ALDH1A1SMN1; SMN2KDM4EDRD1
SCHEMBL2557689 0.78 ALDH1A1 (0.58) ALDH1A3ALDH1A1SMN1; SMN2DRD1KMT2A
SCHEMBL2560688 0.78 SMN1; SMN2 (0.68) ALDH1A3ALDH1A1SMN1; SMN2KDM4EDRD1
SCHEMBL29955755 0.78 GAA (0.52) ALDH1A3ALDH1A1SMN1; SMN2KDM4EKMT2A

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