SCHEMBL2561470

SCHEMBL2561470

Cc1cc(B(O)O)cc(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.48
KMO O15229 2/20 0.44
CRHR1 P34998 6/20 0.43
CTSK P43235 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
TRPA1 O75762 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL2556985 0.84 ACP1 (0.46) ACP1KMOCTSKTSHRHSD11B1
SCHEMBL20776163 0.80 ACP1 (0.43) ACP1KMOCTSKTSHRHSD11B1
SCHEMBL2556661 0.80 SCN9A (0.44) ALDH1A1HSD11B1CYP3A4TRPA1
SCHEMBL20782565 0.78 HSD11B1 (0.51) ACP1KMOCRHR1CTSKTSHR
SCHEMBL16706631 0.76 KMO (0.56) ACP1KMOCRHR1CTSKTSHR
SCHEMBL21352418 0.75 JAK2 (0.35) HSD11B1
SCHEMBL2553444 0.74 MGLL (0.49) CTSK
SCHEMBL2558643 0.74 KMO (0.46) ACP1KMOCTSKTSHRHSD11B1
SCHEMBL29891775 0.73 AR (0.45) ALDH1A1HSD11B1TRPA1TRPM8
SCHEMBL10374129 0.73 CCR1 (0.52) ACP1KMOCTSKTSHRALDH1A1

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