SCHEMBL4130181

SCHEMBL4130181

O=C(O)CCC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.47
FOLH1 Q04609 2/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
KEAP1 Q14145 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LTA4H P09960 2/20 0.43
HDAC2 Q92769 2/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL27587442 1.00 CPA3 (0.47) CPA3FOLH1CHRNB2CHRNA4SLC1A3
SCHEMBL3222356 0.88 MAPT (0.50) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL11157509 0.87 ALDH1A1 (0.47) FOLH1CHRNB2CHRNA4SLC1A3SLC1A2
SCHEMBL4466281 0.83 FFAR1 (0.53) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL523236 0.81 HTT (0.42) FOLH1CYP2D6CYP2C9CYP2C19FFAR1
SCHEMBL14610742 0.81 HTT (0.42) FOLH1CYP2D6CYP2C9CYP2C19FFAR1
SCHEMBL25434926 0.81 SLC1A3 (0.46) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL8358798 0.80 AOC3 (0.48) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL641621 0.79 HDAC2 (0.48) HDAC2HDAC3SLC6A3HDAC1HDAC8
SCHEMBL7526436 0.79 CHRNB2 (0.51) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1

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
CN-103145810-B A kind of method preparing MFG Hybio Pharmaceutical Co., Ltd. (CN) 2016-02-17 CN disclosed
CN-103145810-A Method for preparing micafungin SHENZHEN HYBIO PHARMACEUTICAL 2013-06-12 CN disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed