SCHEMBL182720

SCHEMBL182720

CCCCCCCCC1(CCCCCCCC)COOc2c(C(=O)OCC)[nH]c(C(=O)OCC)c2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 5/20 0.32
PRKCA P17252 4/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 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
SCHEMBL182581 0.84 PTPN1 (0.31) PRKCA
SCHEMBL182721 0.80 LMNA (0.43) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182724 0.73 LMNA (0.40) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182762 0.65 TDP1 (0.33) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182725 0.65 LMNA (0.43) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182582 0.64 PRKCA (0.36) PRKCA
SCHEMBL6855464 0.62 LMNA (0.50) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL11652356 0.59 CYP1A2 (0.80) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL28224731 0.58 MAPT (0.59) LMNAMAPK1ALDH1A1MAPTTSHR
SCHEMBL11157443 0.58 MAPT (0.59) LMNAMAPK1ALDH1A1MAPTTSHR

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