SCHEMBL2559613

SCHEMBL2559613

CC(=O)CCC(=O)OCC(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8460020 0.82 CYP2C19 (0.49) CYP2C19ALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL28081042 0.77 ALDH1A1 (0.46) CYP2C19ALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL18116284 0.76 CYP2C19 (0.50) CYP2C19ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL26335994 0.76 MAPT (0.43) ALDH1A1MAPTLMNAKMT2A
SCHEMBL9574183 0.75 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2PKMCYP1A2CYP2D6
SCHEMBL9011765 0.75 CYP1A2 (0.68) CYP2C19ALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL2016945 0.74 CYP2C19 (0.52) CYP2C19ALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL18218922 0.74 ALDH1A1 (0.46) CYP2C19ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL28754609 0.74 LMNA (0.41) CYP2C19ALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL31677400 0.73 CYP1A2 (0.47) CYP2C19MAPTSMN1; SMN2PKMCYP1A2

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