SCHEMBL29956372

SCHEMBL29956372

CCOc1ccc(B(O)O)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.42
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
ENPP2 Q13822 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.40
CASP6 P55212 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.39

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
SCHEMBL2802409 1.00 POLB (0.44) POLBTSHRLPLLIPGENPP2
SCHEMBL1963060 0.91 PDE4A (0.50) TSHRENPP2KDM4EGAAMAPT
SCHEMBL16426991 0.91 MAPT (0.54) TSHRENPP2KDM4EGAAMAPT
SCHEMBL3189714 0.87 L3MBTL1 (0.61) POLBTSHRMAPTALDH1A1LMNA
SCHEMBL2852131 0.86 TSHR (0.38) POLBTSHRLPLLIPGENPP2
SCHEMBL16654220 0.85 S1PR1 (0.37) POLBTSHRLPLLIPGENPP2
SCHEMBL3659031 0.85 ESR1 (0.46) TSHRLPLLIPGENPP2KDM4E
SCHEMBL29954924 0.85 ESR1 (0.46) TSHRLPLLIPGENPP2KDM4E
SCHEMBL3791885 0.85 MAPT (0.47) POLBLPLLIPGENPP2KDM4E
SCHEMBL1155862 0.83 CA1 (0.46) LPLLIPGENPP2MAPTSMN1; SMN2

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