SCHEMBL23912199

SCHEMBL23912199

COC(=O)c1ccc(COC(=O)C2CC3CCC2C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL21895425 0.87 HPGD (0.41) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL21895378 0.85 FABP7 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRCYP3A4
SCHEMBL21896023 0.84 NPC1 (0.44) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL21895657 0.82 SLC6A3 (0.46) ALDH1A1HPGDMAPTNPC1MAPK1
SCHEMBL21895380 0.81 HPGD (0.58) ALDH1A1HPGDSMN1; SMN2KDM4ETSHR
SCHEMBL21895654 0.81 HPGD (0.40) ALDH1A1HPGDMAPTNPC1MAPK1
SCHEMBL21895658 0.81 HPGD (0.40) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL21895387 0.79 CYP3A4 (0.41) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL21895385 0.76 ALDH1A1 (0.41) ALDH1A1HPGDMAPTEPHX2NPC1
SCHEMBL6668906 0.76 KDM4E (0.57) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E

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
EP-3640255-B1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SHINETSU CHEMICAL CO (JP) 2021-10-13 EP disclosed