SCHEMBL9338341

SCHEMBL9338341

CCOC(COc1ccccc1CC)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 2/20 0.45
HPGD P15428 1/20 0.45
ADRB2 P07550 6/20 0.45
ADRB1 P08588 6/20 0.45
ADRB3 P13945 2/20 0.45
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
NPC1 O15118 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
SCHEMBL1602503 0.83 DRD1 (0.52) L3MBTL1ATMHPGDTSHRTP53
SCHEMBL1247116 0.83 ADRB2 (0.45) L3MBTL1MAPTNPSR1ADRB2ADRB1
SCHEMBL13984211 0.83 ALOX15 (0.53) L3MBTL1MAPTNPSR1ATMKDM4E
SCHEMBL4551683 0.80 KDM4E (0.54) MAPTHPGDADRB2ADRB1ADRB3
SCHEMBL1919969 0.80 LMNA (0.54) L3MBTL1MAPTHPGDTSHRHSD17B10
SCHEMBL10701443 0.79 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL7804863 0.79 KDM4E (0.39) L3MBTL1MAPTNPSR1ADRB2ADRB1
SCHEMBL14404028 0.79 ALOX15 (0.38) L3MBTL1MAPTNPSR1KDM4ECYP1A2
SCHEMBL1866136 0.79 KMT2A (0.48) L3MBTL1MAPTATMHPGDCYP1A2
SCHEMBL22069687 0.79 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357348-B1 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES (JP) 1994-06-08 EP disclosed
US-4982008-A Process for preparing p-bromophenoxyacetaldehyde dialkylacetal compounds UBE INDUSTRIES, LTD. (JP) 1991-01-01 US disclosed