SCHEMBL182544

SCHEMBL182544

Ic1c2c(c(I)n1Cc1ccccc1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.38
MIF P14174 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX4 Q99571 1/20 0.37
DRD4 P21917 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL12513970 0.93 CYP19A1 (0.39) CYP2D6CYP19A1SIGMAR1LMNASMN1; SMN2
SCHEMBL13528333 0.82 ACHE (0.42) CYP19A1SIGMAR1LMNASMN1; SMN2GSK3A
SCHEMBL182627 0.74 CCR2 (0.46) CYP2D6LMNASMN1; SMN2GSK3AGSK3B
SCHEMBL2723479 0.68 MAPK8 (0.51) LMNASMN1; SMN2CYP1A2ALDH1A1TDP1
SCHEMBL182699 0.65 CYP2D6 (0.51) CYP2D6CYP19A1SIGMAR1LMNASMN1; SMN2
SCHEMBL2678678 0.64 SIGMAR1 (0.58) CYP2D6SIGMAR1LMNACYP1A2POLB
SCHEMBL8985073 0.64 GSK3B (0.67) CYP19A1LMNASMN1; SMN2GSK3AGSK3B
SCHEMBL9876165 0.62 SIGMAR1 (0.59) SIGMAR1SMN1; SMN2POLBALDH1A1DRD4
SCHEMBL5176030 0.60 CYP3A4 (0.53) CYP19A1SIGMAR1LMNASMN1; SMN2GSK3A
SCHEMBL2941482 0.60 SIGMAR1 (0.65) SIGMAR1LMNAPOLBALDH1A1TDP1

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 6 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-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