SCHEMBL29891775

SCHEMBL29891775

OB(O)c1cc(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
SCN9A Q15858 5/20 0.44
MGLL Q99685 3/20 0.42
TRPA1 O75762 4/20 0.41
BACE1 P56817 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL28542572 0.84 MGLL (0.50) ARMGLLTRPA1BACE1TRPM8
SCHEMBL2556582 0.82 SCN9A (0.45) ARSCN9ATRPA1BACE1TRPM8
SCHEMBL24017164 0.77 AR (0.50) ARSCN9ATRPA1BACE1TRPM8
SCHEMBL28972411 0.76 ABL1 (0.53) ARSCN9ATRPA1BACE1TRPM8
SCHEMBL28619486 0.76 HSD11B1 (0.56) ARSCN9ATRPA1BACE1TRPM8
SCHEMBL29805892 0.76 BACE1 (0.51) ARSCN9ATRPA1BACE1TRPM8
SCHEMBL21125865 0.75 MGLL (0.57) MGLLBACE1ALDH1A1HPGD
SCHEMBL2556985 0.74 ACP1 (0.46) SCN9ATRPA1BACE1TRPM8HSD11B1
SCHEMBL22304414 0.74 AR (0.58) ARSCN9ATRPA1BACE1TRPM8
SCHEMBL29630556 0.74 ALDH1A1 (0.51) ARSCN9AAKR1C3AKR1C2FFAR4

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-114981249-A Benzopyrrole derivative and organic electroluminescent element comprising same 株式会社乐普拓 2022-08-30 CN disclosed