SCHEMBL7187409

SCHEMBL7187409

CCCCCC1=C(CCCCC)C(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
ALOX5 P09917 11/20 0.36
MPEG1 Q2M385 7/20 0.36
CDC25A P30304 6/20 0.36
CDC25B P30305 6/20 0.36
CDC25C P30307 5/20 0.36
XIAP P98170 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4441878 0.90 ALDH1A1 (0.39) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL4297676 0.86 ALDH1A1 (0.40) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL2399155 0.86 ALDH1A1 (0.37) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL5234137 0.83 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4237197 0.82 ALDH1A1 (0.46) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL28724654 0.82 ALDH1A1 (0.38) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL11760628 0.82 SCD (0.45) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL11766118 0.82 SCD (0.45) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL11765129 0.82 SCD (0.45) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL11762428 0.82 SCD (0.45) SCDALDH1A1TDP1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200222536-A1 BIOPHOTONIC COMPOSITIONS COMPRISING A FUNGAL-DERIVED CHROMOPHORE ORPHADERM LIMITED (IE) 2020-07-16 US disclosed
CN-111378172-A Force-induced responsive polymer with multi-hybrid network structure 翁秋梅 2020-07-07 CN disclosed
EP-3463467-A1 BIOPHOTONIC COMPOSITIONS COMPRISING A FUNGAL-DERIVED CHROMOPHORE Orphaderm Limited (IE) 2019-04-10 EP disclosed
WO-2017201615-A1 BIOPHOTONIC COMPOSITIONS COMPRISING A FUNGAL-DERIVED CHROMOPHORE ORPHADERM LIMITED (IE) 2017-11-30 WO disclosed
EP-1282423-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC Oklahoma Medical Research Foundation (US) 2003-02-12 EP disclosed
US-20030017148-A1 Prevention of insulin-dependent diabetes, complications thereof, or allograft rejection by inhibition of cyclooxygenase-2 activity OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-01-23 US disclosed
WO-2001085175-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2001-11-15 WO disclosed
US-4005153-A PESTICIDES, NEMATOCIDES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-01-25 US disclosed