SCHEMBL30749709

SCHEMBL30749709

COC=Cc1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.49
HSD11B1 P28845 3/20 0.48
BCHE P06276 1/20 0.39
CHRNA7 P36544 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.35
DYRK2 Q92630 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR3 P22607 1/20 0.35
NFE2L2 Q16236 2/20 0.34
TRPA1 O75762 1/20 0.34
ATM Q13315 2/20 0.34
EGFR P00533 2/20 0.34

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
SCHEMBL9261193 1.00 LY96 (0.49) LY96HSD11B1BCHECHRNA7POLB
SCHEMBL9261189 1.00 LY96 (0.49) LY96HSD11B1BCHECHRNA7POLB
SCHEMBL1293193 0.83 LY96 (0.36) LY96HSD11B1ALDH1A1NPC1RAB9A
SCHEMBL1245999 0.83 LY96 (0.36) LY96HSD11B1ALDH1A1NPC1RAB9A
SCHEMBL1293024 0.80 NFE2L2 (0.41) LY96NFE2L2
SCHEMBL1293025 0.80 NFE2L2 (0.41) LY96NFE2L2
SCHEMBL1559918 0.80 LY96 (0.34) LY96HSD11B1NFE2L2
SCHEMBL2393408 0.80 LY96 (0.34) LY96HSD11B1NFE2L2
SCHEMBL297691 0.78 HSD11B1 (0.62) LY96HSD11B1BCHECHRNA7KMT2A
SCHEMBL1751871 0.78 HSD11B1 (0.62) LY96HSD11B1BCHECHRNA7KMT2A

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
CN-117510306-A Preparation method of 3-phenanthryl alcohol 浙江凯普化工有限公司 2024-02-06 CN disclosed