SCHEMBL3939532

SCHEMBL3939532

C=CCCCO[C](C)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4726397 0.74
SCHEMBL434612 0.72 CA12 (0.43) ALDH1A1TSHRLMNASMN1; SMN2L3MBTL1
SCHEMBL2838452 0.71
SCHEMBL12403539 0.70 TSHR (0.42) ALDH1A1TSHRLMNALPAR3LPAR2
SCHEMBL26247941 0.70 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL433380 0.70 SMN1; SMN2 (0.42) MAPTSMN1; SMN2HPGD
SCHEMBL16130357 0.70 SMN1; SMN2 (0.42) MAPTSMN1; SMN2HPGD
SCHEMBL4725795 0.69 ALDH1A1 (0.42) ALDH1A1TSHRLMNAUSP2CYP3A4
SCHEMBL29220317 0.68 ALDH1A1 (0.41) ALDH1A1TSHRLMNAUSP2CYP3A4
SCHEMBL5023074 0.68 ALDH1A1 (0.40) ALDH1A1TSHRLMNAUSP2CYP3A4

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-2044081-A2 IMPROVED OXIDATION PROCESS WITH ENHANCED SAFETY USEFUL IN THE MANUFACTURE OF MOXIDECTIN BY MEANS OF STABILISED 2-IODOXYBENZOIC ACID (SIBX) Wyeth (US) 2009-04-08 EP disclosed
WO-2007149305-A2 IMPROVED OXIDATION PROCESS WITH ENHANCED SAFETY USEFUL IN THE MANUFACTURE OF MOXIDECTIN BY MEANS OF STABILISED 2-IODOXYBENZOIC ACID (SIBX) WYETH (US) 2007-12-27 WO disclosed