SCHEMBL215968

SCHEMBL215968

C=CCC1COOc2c(c(C(=O)OCC)n(Cc3ccccc3)c2C(=O)OCC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRMT1 Q99873 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL182907 0.84 ALDH1A1 (0.39) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL215969 0.83 TSHR (0.44) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL2931696 0.72 ALDH1A1 (0.54) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL182493 0.68 MAPT (0.62) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL2930130 0.67 TSHR (0.48) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL182752 0.63 TSHR (0.43) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL23174424 0.62 TSHR (0.62) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL8940579 0.62 TSHR (0.80) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL6292813 0.62 TSHR (0.56) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL29123133 0.62 TSHR (0.71) TSHRALDH1A1MAPK1POLBLMNA

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