SCHEMBL25866618

SCHEMBL25866618

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(C)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
BTN3A1 O00481 8/20 0.46
ENO1 P06733 2/20 0.41
PRKCA P17252 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ABCB11 O95342 1/20 0.33
POLA1 P09884 1/20 0.33
POLG P54098 1/20 0.33
FAP Q12884 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2461589 0.90 ALDH1A1 (0.51) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL18712422 0.86 ALDH1A1 (0.54) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL26323422 0.85 BTN3A1 (0.44) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL2457439 0.84 ALDH1A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL2461802 0.82 ALDH1A1 (0.51) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL10378800 0.81 BTN3A1 (0.50) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL9891063 0.79 BTN3A1 (0.49) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL28720185 0.79 BTN3A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL3437081 0.79 BTN3A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL10378801 0.79 BTN3A1 (0.49) ALDH1A1BTN3A1ENO1PRKCAFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192960-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-10-05 WO disclosed
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
WO-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 WO disclosed