SCHEMBL2561111

SCHEMBL2561111

O=Cc1ccc(-c2ccc(C(=O)O)cc2F)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
RARB P10826 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ERN1 O75460 1/20 0.38
PRF1 P14222 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
EIF4E P06730 1/20 0.37
DPP4 P27487 1/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.36
UNG P13051 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
RORC P51449 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
SCHEMBL2550922 0.88 ERN1 (0.40) LMNAMAPK1HTTRAB9AERN1
SCHEMBL2560435 0.85 POLB (0.46) ERN1PRF1DPP4ALDH1A1UNG
SCHEMBL2557907 0.82 ESR2 (0.42) ADH5RAB9ARARBESR1ESR2
SCHEMBL30541282 0.80 HSD17B1 (0.45) HSD17B1HSD17B2PRF1ESR1ESR2
SCHEMBL20546563 0.80 HSD17B1 (0.45) HSD17B1HSD17B2PRF1ESR1ESR2
SCHEMBL2562398 0.79 TSHR (0.46) DPP4ALDH1A1UNG
SCHEMBL2559712 0.79 CA12 (0.50) LMNAMAPK1HTTRAB9AERN1
SCHEMBL2561442 0.77 KEAP1 (0.42) LMNAHSD17B1HSD17B2PRF1DPP4
SCHEMBL2560151 0.77 ADH5 (0.46) ADH5LMNAMAPK1HTTRAB9A
SCHEMBL14213193 0.75 LMNA (0.57) ADH5LMNAMAPK1HTTRAB9A

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