SCHEMBL29951107

SCHEMBL29951107

Cc1ccc(C)c(-c2ccccc2B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
S1PR4 O95977 2/20 0.41
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
PDK2 Q15119 1/20 0.38
PLA2G7 Q13093 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.35

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
SCHEMBL29953792 0.85 ELANE (0.42) ELANEMEN1HPGDKMT2AALOX15
SCHEMBL969623 0.81 ENPP2 (0.41) HPGDPLA2G7NPC1RAB9ASMN1; SMN2
SCHEMBL29957084 0.81 ENPP2 (0.41) HPGDPLA2G7NPC1RAB9ASMN1; SMN2
SCHEMBL277747 0.79 ELANE (0.52) ELANES1PR4MEN1HPGDKMT2A
SCHEMBL910658 0.78 ENPP2 (0.50) MAPTCA2LIPGENPP2
SCHEMBL10385111 0.76 HPGD (0.51) ELANES1PR4MEN1HPGDKMT2A
SCHEMBL29363320 0.76 HPGD (0.51) ELANES1PR4MEN1HPGDKMT2A
SCHEMBL197716 0.76 ALDH1A1 (0.52) ELANES1PR4MEN1HPGDKMT2A
SCHEMBL12538858 0.74 PDK2 (0.42) PDK2ALDH1A1L3MBTL1ENPP2CYP2A6
SCHEMBL19464511 0.74 HDAC7 (0.49) ELANEMEN1KMT2AMAPTALDH1A1

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