SCHEMBL2558614

SCHEMBL2558614

CC(=O)C(CC(=O)O)C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.49
ALOX5 P09917 6/20 0.49
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
WRN Q14191 7/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12267832 0.71 PTGES (0.64) PTGESALOX5ALDH1A1MAPTCYP3A4
SCHEMBL11072429 0.64 ALDH1A1 (0.58) PTGESALOX5ALDH1A1MAPTPOLB
SCHEMBL31146953 0.62 ALDH1A1 (0.60) PTGESALOX5ALDH1A1MAPTCYP3A4
SCHEMBL31146960 0.62 WRN (0.67) ALDH1A1MAPTCYP3A4CYP2C9HPGD
SCHEMBL10216432 0.61 ALDH1A1 (0.59) PTGESALOX5ALDH1A1MAPTPOLB
SCHEMBL31146957 0.61 WRN (0.60) PTGESALOX5ALDH1A1MAPTCYP3A4
SCHEMBL31146956 0.61 ALDH1A1 (0.57) PTGESALOX5ALDH1A1MAPTCYP3A4
SCHEMBL31146966 0.61 WRN (0.63) PTGESALOX5ALDH1A1MAPTCYP3A4
SCHEMBL31146971 0.61 WRN (0.63) PTGESALOX5ALDH1A1MAPTCYP3A4
SCHEMBL24376698 0.60 ALDH1A1 (0.58) PTGESALOX5ALDH1A1MAPTPOLB

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