SCHEMBL31056254

SCHEMBL31056254

CCOC(=O)c1cc(OC(F)F)c2occc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.43
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN11 Q06124 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
BCL2L1 Q07817 1/20 0.40
NPC1 O15118 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
SCHEMBL642423 0.82 HSD17B2 (0.45) HSD17B2GAAPOLBALDH1A1MEN1
SCHEMBL31056099 0.81 SLC22A12 (0.39) GAAPOLBALDH1A1TSHRHTT
SCHEMBL643091 0.80 CA12 (0.55) HSD17B2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13131915 0.78 REN (0.44) HSD17B2POLBALDH1A1MEN1KMT2A
SCHEMBL23217544 0.78 ALDH1A1 (0.46) HSD17B2ALDH1A1MEN1KMT2AMAPT
SCHEMBL31026070 0.78 ALDH1A1 (0.46) HSD17B2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4273797 0.76 HSD17B2 (0.55) HSD17B2GAAPOLBALDH1A1MEN1
SCHEMBL18789684 0.73 CA12 (0.62) HSD17B2GAAPOLBALDH1A1MEN1
SCHEMBL23876967 0.71 ALDH1A1 (0.59) HSD17B2GAAPOLBALDH1A1MEN1
SCHEMBL6824879 0.70 CTNNB1 (0.58) HSD17B2ALDH1A1MEN1KMT2AMAPT

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed