SCHEMBL29555487

SCHEMBL29555487

FC(F)(F)c1ccccc1-c1oc(-c2ccccc2C(F)(F)F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.49
NOTUM Q6P988 2/20 0.45
PSMB8 P28062 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.43
NPFFR1 Q9GZQ6 2/20 0.42
NPFFR2 Q9Y5X5 2/20 0.42
LMNA P02545 2/20 0.42
SLC9A1 P19634 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL4585365 1.00 C1R (0.49) C1RNOTUMPSMB8ALDH1A1HPGD
SCHEMBL197671 0.77 HSD11B1 (0.56) NOTUMPSMB8ALDH1A1HPGDHSD11B1
SCHEMBL8022901 0.74 HSD11B1 (0.54) NOTUMPSMB8ALDH1A1HPGDHSD11B1
Hydrochloric Acid SCHEMBL29010139 0.74 HSD11B1 (0.54) NOTUMPSMB8ALDH1A1HPGDHSD11B1
SCHEMBL27591664 0.71 LMNA (0.49) NOTUMPSMB8ALDH1A1HPGDMAPT
SCHEMBL10028048 0.71 SMN1; SMN2 (0.51) PSMB8ALDH1A1HPGDMAPTHTT
SCHEMBL22304414 0.70 AR (0.58) NOTUMALDH1A1HSD11B1CYP1A2CYP2D6
SCHEMBL23567431 0.69 HSD11B1 (0.46) NOTUMPSMB8ALDH1A1HSD11B1CYP1A2
SCHEMBL16401280 0.69 NOTUM (0.44) C1RNOTUMPSMB8ALDH1A1HPGD
SCHEMBL17798997 0.69 AR (0.44) C1RNOTUMPSMB8ALDH1A1HPGD

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
WO-2022034916-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2022-02-17 WO disclosed