SCHEMBL29952666

SCHEMBL29952666

OB(O)c1cccc2ccc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
PTPRC P08575 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
KIF11 P52732 2/20 0.38
TRPV6 Q9H1D0 2/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL29955583 0.86 MGLL (0.49) MGLLKIF11TRPV6ORAI1ORAI2
SCHEMBL4727635 0.77 CTDSP1 (0.53) MGLLPTPRCTRPV1KIF11CES2
SCHEMBL23206122 0.77 CYP1A2 (0.57) PTPRCTRPV1KIF11TSHRMAPK1
SCHEMBL16061157 0.77 CYP1A2 (0.43) TRPV1CES2ACHE
SCHEMBL29956515 0.76 TRPV1 (0.43) TRPV1KIF11
SCHEMBL3200547 0.74 CYP1A2 (0.59) ACHE
SCHEMBL29951724 0.74 CYP1A2 (0.59) ACHE
SCHEMBL24807944 0.74 CYP2A6 (0.45) TRPV1TSHR
SCHEMBL28477357 0.74 MCL1 (0.55) TRPV1
SCHEMBL10408737 0.74 ALDH1A1 (0.56) PTPRCKIF11CNR2TSHR

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 1 patent. 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