SCHEMBL4045324

SCHEMBL4045324

CCC(O)COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.58
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
POLB P06746 1/20 0.51
LTA4H P09960 5/20 0.50
HTT P42858 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12305419 0.93 BACE1 (0.49) BACE1PRMT5WDR77POLBCYP2D6
SCHEMBL130136 0.91 POLB (0.51) BACE1PRMT5WDR77POLBCYP2D6
SCHEMBL12895598 0.88 NQO1 (0.48) BACE1POLBMAPTSMN1; SMN2LMNA
SCHEMBL13093357 0.87 ADRB3 (0.51) POLBLTA4HHTTCYP2C9MAPT
SCHEMBL12895597 0.87 LMNA (0.53) BACE1POLBCYP2D6CYP1A2MAPT
SCHEMBL166337 0.86 LMNA (0.64) POLBHTTCYP2D6CYP1A2CYP2C9
SCHEMBL19001619 0.85 AR (0.52) BACE1PRMT5WDR77POLBHTT
SCHEMBL27270618 0.85 MAPT (0.55) BACE1PRMT5WDR77POLBHTT
SCHEMBL11454127 0.85 BACE1 (0.59) BACE1PRMT5WDR77LTA4HHTT
SCHEMBL19648494 0.84 MEN1 (0.57) BACE1PRMT5WDR77POLBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed