SCHEMBL182998

SCHEMBL182998

CCCCCCCCC1COOc2c[nH]cc2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.34
S1PR1 P21453 2/20 0.32
SGPL1 O95470 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL182999 0.74 ALDH1A1 (0.41) CYP1A2ALDH1A1S1PR1SGPL1MEN1
SCHEMBL6662416 0.64 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL9136471 0.64 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL664978 0.64 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL28296028 0.64 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1
SCHEMBL11727901 0.63 ALDH1A1 (0.56) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL11810911 0.63 ALDH1A1 (0.56) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL11691475 0.63 ALDH1A1 (0.56) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8552881 0.63 IDO1 (0.47) CYP1A2ALDH1A1CYP3A4CYP2C8CYP2D6
SCHEMBL9838348 0.63 IDO1 (0.47) CYP1A2ALDH1A1CYP3A4CYP2C8CYP2D6

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