SCHEMBL13845205

SCHEMBL13845205

CCCOc1ccc(OCC(C)CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
LTA4H P09960 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PLK1 P53350 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL9232810 0.84 RAB9A (0.52) FFAR1KDM4EL3MBTL1NPC1MAPT
SCHEMBL10705795 0.83 FFAR1 (0.53) FFAR1KDM4ENPC1MAPTRAB9A
SCHEMBL10705801 0.83 FFAR1 (0.53) FFAR1KDM4ENPC1MAPTRAB9A
SCHEMBL10742881 0.83 RARB (0.55) LTA4HKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL10746875 0.83 RARB (0.55) LTA4HKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL10746897 0.83 RARB (0.55) LTA4HKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL10742871 0.83 RARB (0.55) LTA4HKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL11920836 0.82 FFAR1 (0.51) FFAR1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL11937090 0.80 FFAR1 (0.44) FFAR1KDM4EMAPTALDH1A1HPGD
SCHEMBL14528314 0.80 FFAR1 (0.50) FFAR1L3MBTL1NPC1MAPTSMN1; SMN2

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed