SCHEMBL4642855

SCHEMBL4642855

[CH]=Cc1ccccc1OCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AR P10275 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
NLRP1 Q9C000 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4642313 0.90 CYP1A2 (0.56) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL4642408 0.89 CYP1A2 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL7667574 0.86 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL2495602 0.83 ALDH1A1 (0.52) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL27533288 0.82 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL3200496 0.82 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
1,2-Dipropoxybenzene SCHEMBL29428926 0.80 CYP1A2 (0.56) ALDH1A1HTTMEN1KMT2ACYP1A2
1,2-Dipropoxybenzene SCHEMBL578657 0.80 CYP1A2 (0.56) ALDH1A1HTTMEN1KMT2ACYP1A2
SCHEMBL812635 0.80 ALDH1A1 (0.77) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL2098846 0.80 HPGD (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP claimed
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
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed