SCHEMBL29957542

SCHEMBL29957542

CCCOc1ccc(B(O)O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL4814769 1.00 ESR1 (0.42) ESR1KMT2AMAPTMEN1ALDH1A1
SCHEMBL29954628 0.92 ESR1 (0.51) ESR1LPLLIPGTHRATHRB
SCHEMBL29951984 0.90 ESR1 (0.51) ESR1LPLLIPGTHRATHRB
SCHEMBL29954924 0.86 ESR1 (0.46) ESR1MAPTALDH1A1KDM4EUSP2
SCHEMBL3659031 0.86 ESR1 (0.46) ESR1MAPTALDH1A1KDM4EUSP2
SCHEMBL3791885 0.86 MAPT (0.47) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL2556271 0.85 HTR1A (0.40) ESR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2561666 0.85 KDR (0.45) KMT2AALDH1A1KDM4ETP53HTT
SCHEMBL15330986 0.83 KDM4E (0.44) ESR1KMT2AALDH1A1KDM4EUSP2
SCHEMBL2556651 0.82 ESR1 (0.51) ESR1KMT2AMAPTGAATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119144007-A Carborane hybridized two-dimensional porous metal organic supermolecular framework, preparation and application thereof 浙江师范大学 2024-12-17 CN claimed
CN-119144007-A Carborane hybridized two-dimensional porous metal organic supermolecular framework, preparation and application thereof 浙江师范大学 2024-12-17 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed