SCHEMBL4740645

SCHEMBL4740645

COCOc1ccccc1CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
LTB4R Q15722 3/20 0.49
LTB4R2 Q9NPC1 3/20 0.49
LMNA P02545 1/20 0.49
DHFR P00374 1/20 0.47
PTGER1 P34995 4/20 0.47
PTGER4 P35408 4/20 0.47
PTGER3 P43115 4/20 0.47
PTGER2 P43116 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KEAP1 Q14145 1/20 0.43

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
SCHEMBL29874929 0.83 L3MBTL1 (0.57) LTB4RLMNAL3MBTL1POLBSMN1; SMN2
SCHEMBL1884182 0.83 L3MBTL1 (0.57) LTB4RLMNAL3MBTL1POLBSMN1; SMN2
SCHEMBL1208625 0.83 L3MBTL1 (0.59) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL362209 0.83 LMNA (0.59) NPSR1LMNAFFAR1POLBSMN1; SMN2
SCHEMBL29590071 0.83 LMNA (0.59) NPSR1LMNAFFAR1POLBSMN1; SMN2
SCHEMBL22382257 0.82 ABCB1 (0.51)
SCHEMBL16972794 0.82 CYP4F2 (0.60) LMNADHFRPOLBSMN1; SMN2
SCHEMBL28185335 0.82 FFAR4 (0.52) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL28209378 0.82 FFAR4 (0.55) LTB4RLTB4R2PTGER1PTGER4PTGER3
SCHEMBL7340039 0.81 L3MBTL1 (0.63) THRATHRBNPSR1LTB4RLTB4R2

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-101015544-B Use of phenyl propyl compound with oxidation resistance function for protecting liver and brain damage ZHEJIANG HISUN PHARM CO LTD 2010-07-07 CN disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
CN-101015544-A Use of phenyl propyl compound with oxidation resistance function for protecting liver and brain damage ZHEJIANG HISUN NATURSITE PHARM (CN) 2007-08-15 CN disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed