SCHEMBL8102326

SCHEMBL8102326

CCC=C(C)C(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.42
ELANE P08246 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL432377 0.90 ELANE (0.42) MAPTTDP1RAB9AGAAHSD17B10
SCHEMBL22572669 0.87 RXRA (0.46) MAPTTDP1
SCHEMBL21373876 0.83 NPC1 (0.46) MAPTTDP1SMN1; SMN2LMNANPC1
SCHEMBL7874410 0.82 ELANE (0.40) MAPTSMN1; SMN2LMNAGAAELANE
SCHEMBL27882259 0.82 GSK3B (0.43) MAPTSMN1; SMN2LMNARAB9AGAA
SCHEMBL28038532 0.82 MGLL (0.44) MAPTLMNARAB9AL3MBTL1MEN1
SCHEMBL27781517 0.81 TDP1 (0.40) MAPTTDP1SMN1; SMN2LMNANPC1
SCHEMBL27505728 0.81 CYP11B1 (0.42) MAPTSMN1; SMN2ELANECYP1A2CYP2C9
SCHEMBL28832427 0.81 KMT2A (0.47) MAPTTDP1LMNANPC1GAA
SCHEMBL28289708 0.81 FAAH (0.41) MAPTLMNACYP1A2CYP2C9CYP2C19

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-1014113-A2 Photo curable resin composition and optical parts DSM N.V. (NL) 2000-06-28 EP disclosed