SCHEMBL182447

SCHEMBL182447

CCCCC(CC)CC1COc2c(c(C(=O)OCC)n(Cc3ccccc3)c2C(=O)OCC)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 2/20 0.39
TRPC5 Q9UL62 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
PLCG1 P19174 1/20 0.37
PAX8 Q06710 1/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL182446 0.85 TSHR (0.36) TSHRALDH1A1CA2CYP3A4MAPK1
SCHEMBL182908 0.83 TSHR (0.43) TSHRALDH1A1MAPK1TRPC5TDP1
SCHEMBL215969 0.78 TSHR (0.44) TSHRALDH1A1MAPK1TRPC5TDP1
SCHEMBL2931696 0.77 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TRPC5TDP1
SCHEMBL182763 0.75 TDP1 (0.37) TSHRALDH1A1CA2CYP3A4MAPK1
SCHEMBL182728 0.74 TDP1 (0.35) TSHRALDH1A1CA2CYP3A4MAPK1
SCHEMBL182752 0.73 TSHR (0.43) TSHRALDH1A1MAPK1TDP1TDP2
SCHEMBL2930130 0.72 TSHR (0.48) TSHRALDH1A1MAPK1TRPC5TDP1
SCHEMBL183021 0.71 TDP1 (0.34) TSHRALDH1A1CA2CYP3A4MAPK1
SCHEMBL182907 0.70 ALDH1A1 (0.39) TSHRALDH1A1MAPK1TRPC5TDP1

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