SCHEMBL182801

SCHEMBL182801

CCCCCCCCC1COOc2c(C(=O)O)[nH]c(C(=O)O)c2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
HCAR2 Q8TDS4 3/20 0.33
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
S1PR3 Q99500 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMPD1 P17405 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TP53 P04637 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
SCHEMBL182724 0.84 LMNA (0.40) CYP1A2MEN1HTTKMT2AALDH1A1
SCHEMBL182802 0.78 CYP1A2 (0.39) CYP1A2ALOX5MEN1HTTKMT2A
SCHEMBL182998 0.65 CYP1A2 (0.37) CYP1A2MEN1KMT2AALDH1A1S1PR3
SCHEMBL182725 0.63 LMNA (0.43) CYP1A2MEN1HTTKMT2AALDH1A1
SCHEMBL664978 0.63 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL6662416 0.63 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL28296028 0.63 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL9136471 0.63 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL8710704 0.61 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1
SCHEMBL28237732 0.61 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1

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