SCHEMBL2558348

SCHEMBL2558348

COc1ncc(-c2ccc(C=O)s2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 3/20 0.39
IKBKE Q14164 3/20 0.38
TBK1 Q9UHD2 3/20 0.38
PTPN22 Q9Y2R2 1/20 0.37
APP P05067 1/20 0.36
LDHA P00338 1/20 0.36

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
SCHEMBL2559844 0.83 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558005 0.82 CYP2E1 (0.44) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558239 0.82 KDM4E (0.50) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2557089 0.81 PIK3C3 (0.39) ALDH1A1POLBIKBKETBK1PIK3C3
SCHEMBL2554054 0.77 DHODH (0.43) CYP2A6CYP2C9ALDH1A1POLBNPC1
SCHEMBL2560700 0.76 ERN1 (0.49) KDM4EALDH1A1ERN1PTPN22APP
SCHEMBL14931747 0.75 MAPT (0.59) KDM4EALDH1A1POLBLDHAPIK3C3
SCHEMBL2558026 0.74 TRIM24 (0.49) CYP2C9NPC1RAB9AERN1PIK3C3
SCHEMBL2561506 0.74 ERN1 (0.48) CYP2C9NPC1RAB9AERN1LDHA
SCHEMBL18032749 0.74 PDGFRB (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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