SCHEMBL31364541

SCHEMBL31364541

OC(F)(F)c1ccccc1C(O)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NFKB1 P19838 1/20 0.37
HPGD P15428 2/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDK2 Q15119 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL7777113 0.83 KCNN4 (0.44) ALDH1A1CES1PDK2
SCHEMBL6489437 0.81 CA1 (0.50) ALDH1A1TSHRLMNAGAAL3MBTL1
SCHEMBL8376253 0.77 HSD17B10 (0.47) ALDH1A1TSHRGAATDP1POLB
SCHEMBL2582219 0.75 MEN1 (0.52) ALDH1A1TSHRLMNAGAAPOLB
SCHEMBL1201504 0.73 CES2 (0.41) HPGDCES1PDK2CA2
SCHEMBL6810664 0.73 KDM4E (0.36) ALDH1A1TSHRLMNAGAATDP1
SCHEMBL63469 0.72 ALDH1A1 (0.52) ALDH1A1TSHRLMNAGAATDP1
SCHEMBL29441997 0.72 ALDH1A1 (0.52) ALDH1A1TSHRLMNAGAATDP1
SCHEMBL15957667 0.72 TRPA1 (0.50) ALDH1A1TSHRMAPTSMN1; SMN2PDK2
SCHEMBL8424700 0.71 KDM4E (0.35) ALDH1A1TSHRLMNAGAATDP1

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-2025022004-A2 OPHTHALMIC LENS CONTAMAC LIMITED (GB) 2025-01-30 WO disclosed