SCHEMBL6754356

SCHEMBL6754356

CCC(CCCCS(=O)(=O)c1cc2ccccc2cc1O)COCCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CA2 P00918 1/20 0.34
MTNR1A P48039 1/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.30
MITF O75030 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NCOA1 Q15788 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL6131283 0.74 CYP3A4 (0.53) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4579440 0.72 ALDH1A1 (0.45) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11694965 0.71 EPHX2 (0.48) LMNASMN1; SMN2EPHX2
SCHEMBL11134722 0.69 CYP3A4 (0.60) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6104327 0.66 ALDH1A1 (0.44) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4579438 0.65 LMNA (0.43) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4639897 0.65 LMNA (0.43) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7745782 0.64 CA12 (0.45) LMNAALDH1A1CYP3A4CA2KMT2A
SCHEMBL4578926 0.63 ALDH1A1 (0.42) LMNAALDH1A1CYP3A4CA2KMT2A
SCHEMBL23640402 0.63 CYP3A4 (0.46) LMNAPRSS1PRSS2PRSS3CYP3A4

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
US-6703344-B2 ENCAPSULATED DYE; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 2004-03-09 US disclosed
US-20030013608-A1 Thermal recording material FUJI PHOTO FILM CO., LTD. 2003-01-16 US disclosed