SCHEMBL2559614

SCHEMBL2559614

CC(C)CC(C)(Oc1ccc(C=O)cc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
FBP1 P09467 1/20 0.39
TTR P02766 1/20 0.39
AOX1 Q06278 1/20 0.38
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL2558112 0.86 FBP1 (0.44) ALDH1A1FBP1TTRAOX1POLB
SCHEMBL2555878 0.84 POLB (0.40) ALDH1A1FBP1TTRAOX1POLB
SCHEMBL2558926 0.84 FBP1 (0.42) ALDH1A1FBP1TTRAOX1POLB
SCHEMBL2557997 0.81 LMNA (0.39) ALDH1A1FBP1TTRAOX1POLB
SCHEMBL2560262 0.80 FBP1 (0.47) ALDH1A1FBP1TTRAOX1POLB
SCHEMBL2555711 0.79 ALDH1A3 (0.44) ALDH1A1CYP2C19CYP1A2ALDH1A3
SCHEMBL2559935 0.77 MAOA (0.43) ALDH1A1FBP1POLB
SCHEMBL2558607 0.76 FBP1 (0.42) ALDH1A1FBP1TTRAOX1POLB
SCHEMBL15331329 0.74 ALDH1A1 (0.44) ALDH1A1FBP1TTRAOX1NR3C1
SCHEMBL15330619 0.73 TTR (0.39) ALDH1A1FBP1TTRAOX1POLB

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