SCHEMBL182646

SCHEMBL182646

O=C(O)c1c(O)c(O)c(C(=O)O)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
GPR35 Q9HC97 1/20 0.49
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CCR2 P41597 2/20 0.49
LMNA P02545 2/20 0.49
NOTUM Q6P988 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
SRC P12931 1/20 0.46
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3363334 0.87 MAPK8 (0.53) TSHRSMN1; SMN2NOTUMGAAPKM
SCHEMBL182807 0.80 MAPK8 (0.57) TSHRSMN1; SMN2LMNAGAAPKM
SCHEMBL3001518 0.80 GSK3B (0.52) FOLH1TSHRSMN1; SMN2CCR2LMNA
SCHEMBL182493 0.79 MAPT (0.62) TSHRSMN1; SMN2LMNAGAAPKM
SCHEMBL10068046 0.78 NOTUM (0.39) FOLH1GPR35TSHRSMN1; SMN2CCR2
SCHEMBL182627 0.77 CCR2 (0.46) FOLH1GPR35TSHRSMN1; SMN2CCR2
SCHEMBL15458850 0.77 LMNA (0.48) FOLH1GPR35TSHRSMN1; SMN2CCR2
SCHEMBL28069862 0.72 NOTUM (0.49) FOLH1TSHRSMN1; SMN2LMNANOTUM
SCHEMBL27919376 0.72 SMN1; SMN2 (0.45) FOLH1GPR35TSHRSMN1; SMN2CCR2
SCHEMBL28265923 0.72 SRC (0.53) GPR35TSHRSMN1; SMN2LMNANOTUM

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