SCHEMBL2556834

SCHEMBL2556834

OB(O)c1cc(-c2cccc(F)c2)co1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
TAAR1 Q96RJ0 3/20 0.43
NOTUM Q6P988 2/20 0.41
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTPN1 P18031 1/20 0.37
MGLL Q99685 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DCLRE1B Q9H816 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PDK2 Q15119 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL15331557 0.81 ORAI1 (0.35) ESR2NOTUMPTPN1CA12
SCHEMBL29955359 0.81 MGLL (0.45) PTPN1MGLL
SCHEMBL2561979 0.81 ENPP3 (0.44) MGLL
SCHEMBL2553467 0.77 ENPP2 (0.49) NOTUMCYP3A4
SCHEMBL5539482 0.74 TAAR1 (0.46) ESR2TAAR1NOTUMNR4A1NR4A2
SCHEMBL5539486 0.74 TAAR1 (0.46) ESR2TAAR1NOTUMNR4A1NR4A2
SCHEMBL198702 0.73 TAAR1 (0.68) ESR2TAAR1NOTUMHSD17B1HSD17B2
SCHEMBL29957466 0.72
SCHEMBL21125561 0.71 MGLL (0.69) ESR2TAAR1HSD17B1HSD17B2PTPN1
SCHEMBL16605626 0.71 TAAR1 (0.65) ESR2TAAR1NOTUMHSD17B1HSD17B2

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