SCHEMBL6131283

SCHEMBL6131283

CCCCC(CC)COCCCN.O=S(=O)(O)c1cc2ccccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.40
CA2 P00918 1/20 0.40
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPK1 P28482 3/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TLR2 O60603 4/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32

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
SCHEMBL6104327 0.85 ALDH1A1 (0.44) CYP3A4LMNAALDH1A1CA2NCOA1
SCHEMBL4579440 0.82 ALDH1A1 (0.45) CYP3A4LMNAALDH1A1CA2NCOA1
SCHEMBL4639897 0.81 LMNA (0.43) CYP3A4LMNAALDH1A1CA2MMP9
SCHEMBL6754356 0.74 LMNA (0.36) CYP3A4LMNAALDH1A1CA2NCOA1
SCHEMBL4579438 0.73 LMNA (0.43) CYP3A4LMNAALDH1A1CA2PRSS1
SCHEMBL179734 0.73 CYP3A4 (1.00) CYP3A4ALDH1A1CA2NCOA1NCOA3
SCHEMBL7745782 0.72 CA12 (0.45) CYP3A4LMNAALDH1A1CA2TSHR
SCHEMBL4073176 0.72 CYP3A4 (0.68) CYP3A4LMNAALDH1A1CA2MMP9
SCHEMBL4239357 0.71 CYP3A4 (0.96) CYP3A4ALDH1A1CA2NCOA1NCOA3
Hydrochloric Acid SCHEMBL8650580 0.71 CYP3A4 (0.96) CYP3A4ALDH1A1CA2NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043174-A1 Thermosensitive-recording process and thermosensitive-recording apparatus FUJI PHOTO FILM CO., LTD. 2005-02-24 US disclosed
US-6720287-B2 WHEN AN AROMATIC DICARBOXYLATE IS ENCAPSULATEDTOGETHER WITH THE DIAZONIUM SALT COMPOUND, GENERATION OF PHOTODECOMPOSITION STAIN IS REDUCED AND SHELF LIFE IS IMPROVED FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030045426-A1 Heat sensitive recording material and microcapsule solution FUJI PHOTO FILM CO., LTD. 2003-03-06 US disclosed