SCHEMBL182999

SCHEMBL182999

CCCCCCCCC1COc2c[nH]cc2OC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 3/20 0.40
EPHX1 P07099 1/20 0.35
GBA1 P04062 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 2/20 0.33
SGPL1 O95470 1/20 0.33
SPHK2 Q9NRA0 3/20 0.33
SPHK1 Q9NYA1 3/20 0.33
GUSB P08236 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL182998 0.74 CYP1A2 (0.37) ALDH1A1CYP1A2MEN1KMT2AS1PR1
SCHEMBL29025273 0.72 CYP1A2 (0.46) ALDH1A1CYP1A2EPHX1MEN1KMT2A
SCHEMBL8089593 0.72 CYP1A2 (0.55) ALDH1A1CYP1A2EPHX1SPHK2SPHK1
SCHEMBL11727901 0.71 ALDH1A1 (0.56) ALDH1A1CYP1A2EPHX1GBA1MEN1
SCHEMBL11810911 0.71 ALDH1A1 (0.56) ALDH1A1CYP1A2EPHX1GBA1MEN1
SCHEMBL11691475 0.71 ALDH1A1 (0.56) ALDH1A1CYP1A2EPHX1GBA1MEN1
SCHEMBL182802 0.70 CYP1A2 (0.39) ALDH1A1CYP1A2MEN1KMT2AHTT
SCHEMBL10697801 0.68
SCHEMBL664978 0.68 CYP1A2 (0.69) ALDH1A1CYP1A2EPHX1
SCHEMBL6662416 0.68 CYP1A2 (0.69) ALDH1A1CYP1A2EPHX1

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