SCHEMBL2559974

SCHEMBL2559974

CC(=O)c1ccc(Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
HTT P42858 1/20 0.56
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
TSHR P16473 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CTNNB1 P35222 1/20 0.53
MAOB P27338 1/20 0.49

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
SCHEMBL4743129 0.90 MAPT (0.62) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL920326 0.88 SRD5A2 (0.59) HPGDMAPTHTTKDM4EHSD17B10
SCHEMBL28411450 0.88 CTNNB1 (0.66) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL9252102 0.84 CTNNB1 (0.67) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL1798 0.84 CTNNB1 (0.71) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL2863787 0.83 HTT (0.69) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL366 0.83 HTT (0.59) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL30775034 0.83 HTT (0.59) HPGDMAPTRAB9AHTTKDM4E
SCHEMBL12857834 0.83 PYGM (0.57) HPGDHTTKDM4EHSD17B10ALDH1A1
Bicarbonate SCHEMBL236889 0.82 CTNNB1 (0.69) HPGDMAPTRAB9AHTTKDM4E

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 10 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
EP-0003893-B1 NOVEL DIBENZ (B,F) OXEPIN AND DIBENZO (B,F) THIEPIN COMPOUNDS AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1981-11-04 EP disclosed
US-4238620-A ANTIPYRETICS; ANALGESICS; ANTIINFLAMMATORY AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1980-12-09 US disclosed
EP-0003893-A1 Novel dibenz (b,f) oxepin and dibenzo (b,f) thiepin compounds and pharmaceutically acceptable salts thereof, processes for their preparation and pharmaceutical compositions containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1979-09-05 EP disclosed