SCHEMBL4642313

SCHEMBL4642313

[CH]=Cc1ccccc1OCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LTA4H P09960 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP19A1 P11511 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4642408 0.94 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LTA4HSMN1; SMN2
SCHEMBL4642855 0.90 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL2492275 0.84 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19LTA4HSMN1; SMN2
SCHEMBL7667574 0.84 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3199007 0.82 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LTA4HSMN1; SMN2
1,2-Dibutoxybenzene SCHEMBL29428927 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
1,2-Dibutoxybenzene SCHEMBL1226749 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
SCHEMBL406835 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19LTA4HSMN1; SMN2
SCHEMBL195306 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19LTA4HSMN1; SMN2
SCHEMBL195416 0.81 ALDH1A1 (0.74) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630606-B1 POSITIVE PHOTOSENSITIVE COMPOSITION THINK LABS KK (JP) 2008-08-13 EP disclosed
US-20070212640-A1 Positive Photosensitive Composition THINK LABORATORY CO., LTD. (JP) 2007-09-13 US disclosed
EP-1775632-A1 POSITIVE-WORKING PHOTOSENSITIVE COMPOSITION THINK LABORATORY CO., LTD. (JP) 2007-04-18 EP disclosed
US-20060222998-A1 Positive photosensitive composition THINK LABORATORY CO., LTD. (JP) 2006-10-05 US disclosed
EP-1630606-A1 POSITIVE PHOTOSENSITIVE COMPOSITION THINK LABORATORY CO., LTD. (JP) 2006-03-01 EP disclosed