SCHEMBL215969

SCHEMBL215969

C=CCC1COc2c(c(C(=O)OCC)n(Cc3ccccc3)c2C(=O)OCC)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
TRPC5 Q9UL62 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL215968 0.83 TSHR (0.39) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL2931696 0.81 ALDH1A1 (0.54) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL2930130 0.77 TSHR (0.48) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL182493 0.73 MAPT (0.62) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL182752 0.72 TSHR (0.43) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL15550285 0.69 KMT2A (0.47) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL2723479 0.69 MAPK8 (0.51) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL182907 0.69 ALDH1A1 (0.39) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL23174424 0.67 TSHR (0.62) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL8940579 0.67 TSHR (0.80) TSHRALDH1A1MAPK1MAPTLMNA

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