SCHEMBL11289688

SCHEMBL11289688

COC(=O)C1(CCOCCc2ccc(F)cc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35
MME P08473 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL11297976 0.91 MAPT (0.41) FPR2TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL11299822 0.90 ABCB11 (0.42) FPR2RAB9AMAPTMME
SCHEMBL11290034 0.81 TSHR (0.37) FPR2HPGDTSHRSMN1; SMN2MAOB
SCHEMBL11296990 0.80 LMNA (0.39) MAPTKMT2AMEN1
SCHEMBL11296871 0.78 ABCB11 (0.56) MAPTMAOBMMEKMT2A
SCHEMBL11290364 0.76 EPHX1 (0.44) TSHRRAB9AALDH1A1MAPTKMT2A
SCHEMBL11018732 0.76 RAB9A (0.37) FPR2TSHRRAB9AMMEKMT2A
SCHEMBL7429540 0.75 MME (0.36) TSHRRAB9AMMEKMT2AMEN1
SCHEMBL11295533 0.74 LMNA (0.48) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL11265051 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1

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
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed