SCHEMBL22471754

SCHEMBL22471754

Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2cccc4c2CCCC4)CCCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 2/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RAB9A P51151 2/20 0.32
DRD1 P21728 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL1042360 0.90 CES1 (0.37) CES1BCL2L1BADALDH1A1MEN1
SCHEMBL31566360 0.90 CES1 (0.37) CES1BCL2L1BADALDH1A1MEN1
SCHEMBL2301722 0.86 DRD1 (0.40) CES1BCL2L1BADALDH1A1MEN1
SCHEMBL31438411 0.77 MEN1 (0.43) CES1BCL2L1BADALDH1A1MEN1
SCHEMBL1044167 0.77 MEN1 (0.43) CES1BCL2L1BADALDH1A1MEN1
SCHEMBL1040530 0.74 CES1 (0.40) CES1BCL2L1BADALDH1A1MEN1
SCHEMBL30664383 0.74 BCL2L1 (0.34) BCL2L1BADMEN1KMT2ATDP1
SCHEMBL2914738 0.74 BCL2L1 (0.34) BCL2L1BADMEN1KMT2ATDP1
SCHEMBL665033 0.74 DRD1 (0.39) CES1BCL2L1BADTDP1DRD1
SCHEMBL29924184 0.74 DRD1 (0.39) CES1BCL2L1BADTDP1DRD1

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
WO-2020195437-A1 METHOD FOR PRODUCING PKROSTAGLANDIN 協和ファーマケミカル株式会社 2020-10-01 WO disclosed