SCHEMBL29629428

SCHEMBL29629428

COc1cc(C=O)ccc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
HTT P42858 1/20 0.69
FDPS P14324 1/20 0.57
TSHR P16473 1/20 0.53
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TTR P02766 1/20 0.50
ESRRA P11474 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8268676 1.00 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL31516114 0.87 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28668979 0.85 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2202264 0.85 ESRRA (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5096223 0.84 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28732391 0.84 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28732379 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28648496 0.83 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29452444 0.82 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28732384 0.82 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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
CN-114341135-B Estrogen-related receptor alpha (erra) modulators 领先制药控股公司 2025-03-18 CN disclosed
EP-3994138-A1 ESTROGEN-RELATED RECEPTOR ALPHA (ERRalpha) MODULATORS Lead Pharma Holding B.V. (NL) 2022-05-11 EP disclosed