SCHEMBL29951230

SCHEMBL29951230

CCCCCCCCOc1cccc(B(O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
LPL P06858 2/20 0.58
LIPG Q9Y5X9 2/20 0.58
ENPP2 Q13822 1/20 0.54
SMPD1 P17405 3/20 0.54
PLA2G4B P0C869 3/20 0.51
GGPS1 O95749 2/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
NR5A1 Q13285 1/20 0.49
ALOX5 P09917 1/20 0.48
LTA4H P09960 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL29953647 1.00 TSHR (0.59) TSHRLPLLIPGENPP2SMPD1
SCHEMBL29957212 1.00 TSHR (0.59) TSHRLPLLIPGENPP2SMPD1
SCHEMBL3151058 1.00 TSHR (0.59) TSHRLPLLIPGENPP2SMPD1
SCHEMBL29954521 0.98 LPL (0.57) TSHRLPLLIPGENPP2SMPD1
SCHEMBL177358 0.93 ENPP2 (0.58) TSHRLPLLIPGENPP2SMPD1
SCHEMBL29958198 0.93 TSHR (0.52) TSHRLPLLIPGENPP2SMPD1
SCHEMBL7992 0.88 ENPP2 (0.59) TSHRLPLLIPGENPP2KMT2A
SCHEMBL1021211 0.87 TSHR (0.63) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL2562215 0.84 LPL (0.47) TSHRLPLLIPGENPP2SMPD1
SCHEMBL634578 0.83 ENPP2 (0.53) ENPP2

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