SCHEMBL31459445

SCHEMBL31459445

COC(=O)c1cc(C(F)(F)F)n(CC(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL31459470 0.84 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDCASP1
SCHEMBL31564918 0.82 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDCASP1
SCHEMBL19795466 0.81 LMNA (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31459702 0.77 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDCASP1
SCHEMBL17653946 0.77 LMNA (0.62) KDM4EALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL31459434 0.76 DTYMK (0.43) KDM4EALDH1A1SMN1; SMN2HPGDCASP1
SCHEMBL1877443 0.76 LMNA (0.44) KDM4EALDH1A1MAPTCNR1CNR2
SCHEMBL1120057 0.75 KDM4E (0.44) KDM4EMAPTPKMLMNAGAA
SCHEMBL1881506 0.75 GRN (0.43) KDM4EALDH1A1MAPTCNR1CNR2
SCHEMBL16347892 0.74 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096654-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed