SCHEMBL29955080

SCHEMBL29955080

OB(O)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPV6 Q9H1D0 2/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
NQO2 P16083 1/20 0.43
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KIF11 P52732 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE2A O00408 2/20 0.38
ESR1 P03372 1/20 0.38
CES2 O00748 2/20 0.37
CYP1A2 P05177 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
SCHEMBL1094432 1.00 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL15010827 0.83 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL29508599 0.83 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL1396618 0.83 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL7978271 0.81 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7241535 0.81 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4841354 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL319539 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL29427029 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL29525163 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1

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