SCHEMBL29953902

SCHEMBL29953902

Cc1ccc(OCC2CCCC2)c(B(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
XDH P47989 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
C5AR1 P21730 1/20 0.38
PDE4B Q07343 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
SCHEMBL29954206 0.98 PTGDR2 (0.43) PTGDR2HPGDLMNAXDHSLC6A4
SCHEMBL29956630 0.87 XDH (0.41) HPGDLMNAXDHNPC1RAB9A
SCHEMBL29951637 0.84 HTR2C (0.45) PTGDR2SLC6A4HTR6PARP10PDE4B
SCHEMBL29953013 0.82 HTR2C (0.44) PTGDR2SLC6A4HTR6PARP15PARP10
SCHEMBL29955998 0.81 RAB9A (0.46) HPGDLMNANPC1RAB9A
SCHEMBL16172630 0.81 HPGD (0.54) PTGDR2HPGDLMNASLC6A4HTR6
SCHEMBL29953399 0.79 RAB9A (0.50) HPGDLMNANPC1RAB9A
SCHEMBL18374449 0.78 PARP10 (0.42) HPGDSLC6A4HTR6PARP15PARP10
SCHEMBL29957281 0.78 LIPE (0.50) HPGDPARP15PARP10C5AR1
SCHEMBL15068105 0.77 HTR2A (0.50) PDE4B

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