SCHEMBL22265142

SCHEMBL22265142

O=CCc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
MAOB P27338 5/20 0.39
PTPRZ1 P23471 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
GPR3 P46089 1/20 0.38
SCN5A Q14524 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 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
SCHEMBL498377 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18725090 0.80 MAOB (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAOB
SCHEMBL18003515 0.79 MAOB (0.66) MAOBPPARG
Acetaldehyde SCHEMBL27974246 0.79 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL245370 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL122100 0.76 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10271093 0.76 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3890418 0.76 MAOB (0.61) ALDH1A1MAPTMAOB
SCHEMBL14331359 0.76 LTA4H (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3414513 0.76 BCHE (0.46) ALDH1A1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914351-A1 CARBAMATE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2021-12-01 EP disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 WO disclosed