SCHEMBL182802

SCHEMBL182802

CCCCCCCCC1COc2c(C(=O)O)[nH]c(C(=O)O)c2OC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.36
S1PR3 Q99500 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
PRKCA P17252 2/20 0.34
POLB P06746 1/20 0.34
FASN P49327 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL182801 0.78 CYP1A2 (0.36) CYP1A2ALOX5ALDH1A1S1PR3MEN1
SCHEMBL2721524 0.76 LMNA (0.39) CYP1A2ALDH1A1MEN1KMT2AHTT
SCHEMBL182999 0.70 ALDH1A1 (0.41) CYP1A2ALDH1A1MEN1KMT2AHTT
SCHEMBL8089593 0.70 CYP1A2 (0.55) CYP1A2ALDH1A1POLBFASN
SCHEMBL10747000 0.69 CYP1A2 (0.40) CYP1A2ALOX5ALDH1A1MEN1KMT2A
SCHEMBL29025273 0.67 CYP1A2 (0.46) CYP1A2ALDH1A1MEN1KMT2AHTT
SCHEMBL664978 0.66 CYP1A2 (0.69) CYP1A2ALDH1A1PRKCA
SCHEMBL6662416 0.66 CYP1A2 (0.69) CYP1A2ALDH1A1PRKCA
SCHEMBL28296028 0.66 CYP1A2 (0.69) CYP1A2ALDH1A1PRKCA
SCHEMBL9136471 0.66 CYP1A2 (0.69) CYP1A2ALDH1A1PRKCA

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-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
EP-1465962-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2004-10-13 EP disclosed
US-6791738-B2 CONTROLLING COLOR, BRIGHTNESS AND ENVIRONMENTAL STABILITY; POLY- 3,4-ALKYLENEDIOXYHETEROCYCLES UNIVERSITY OF FLORIDA 2004-09-14 US disclosed
US-20030174377-A1 Electrochromic polymers and polymer electrochromic devices UNIVERSITY OF FLORIDA 2003-09-18 US disclosed
WO-2003046106-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2003-06-05 WO disclosed