SCHEMBL2558645

SCHEMBL2558645

O=Cc1ccc(-c2ccc(C(=O)O)c(F)c2)s1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
APP P05067 1/20 0.43
PRF1 P14222 2/20 0.43
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
RARB P10826 3/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
PGR P06401 1/20 0.40
ERN1 O75460 2/20 0.39
PTPN22 Q9Y2R2 3/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 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
SCHEMBL2561881 0.88 MAPT (0.44) MAPTAPPPRF1CYP2E1CYP3A4
SCHEMBL2576240 0.84 HNF4A (0.50) MAPTAPPPRF1CYP2E1CYP3A4
SCHEMBL15329957 0.82 TSHR (0.45) MAPTAPPPRF1CYP2E1CYP3A4
SCHEMBL2020947 0.81 PRF1 (0.55) MAPTAPPPRF1CYP2E1CYP3A4
SCHEMBL2561768 0.81 PTPN22 (0.56) MAPTAPPPRF1ERN1PTPN22
SCHEMBL15332488 0.79 ALDH1A1 (0.45) MAPTAPPPRF1CYP2E1CYP3A4
SCHEMBL2560700 0.79 ERN1 (0.49) MAPTAPPPRF1PGRERN1
SCHEMBL2561292 0.78 ERN1 (0.42) MAPTAPPPRF1CYP2E1CYP3A4
SCHEMBL2557920 0.78 RARB (0.45) RARBRARARARGPGRERN1
SCHEMBL10331342 0.77 RARB (0.47) PRF1CYP3A4CYP2C19RARBRARA

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