SCHEMBL182422

SCHEMBL182422

CCCCC(CC)CC1COc2c(C(=O)O)[nH]c(C(=O)O)c2OC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.34
TSHR P16473 5/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ATM Q13315 1/20 0.32
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL182728 0.91 TDP1 (0.35) CA2TSHRMAPK1LMNAHTT
SCHEMBL182763 0.85 TDP1 (0.37) CA2TSHRMAPK1LMNAHTT
SCHEMBL182421 0.80 LMNA (0.30) TSHRMAPK1LMNAHTTPOLB
SCHEMBL183021 0.79 TDP1 (0.34) CA2TSHRMAPK1LMNAHTT
SCHEMBL18784797 0.70 ALDH1A1 (0.46) CA2TSHRLMNAALDH1A1CYP3A4
SCHEMBL182762 0.68 TDP1 (0.33) CA2TSHRMAPK1LMNAHTT
SCHEMBL15198920 0.67 CYP3A4 (0.46) CA2TSHRMAPK1LMNAHTT
SCHEMBL11614258 0.62 ALDH1A1 (0.38) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL20543381 0.62 ALDH1A1 (0.45) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL4798734 0.62 ALDH1A1 (0.61) CA2TSHRSMN1; SMN2ALDH1A1CYP3A4

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