SCHEMBL625395

SCHEMBL625395

CCCn1c2ccc(CC=O)cc2c2cc(C(=O)c3ccccc3C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.48
CNR2 P34972 12/20 0.47
NPC1 O15118 2/20 0.45
RORC P51449 1/20 0.45
LMNA P02545 3/20 0.44
CNR1 P21554 3/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
GMNN O75496 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 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
SCHEMBL625639 0.91 ALDH1A1 (0.47) HPGDALDH1A1HTTCNR2RORC
SCHEMBL626557 0.89 ALDH1A1 (0.55) HPGDALDH1A1HTTCNR2RORC
SCHEMBL16774030 0.86 HPGD (0.68) HPGDALDH1A1HTTCNR2NPC1
SCHEMBL625394 0.85 HPGD (0.56) HPGDALDH1A1HTTCNR2NPC1
SCHEMBL29895715 0.85 HPGD (0.56) HPGDALDH1A1HTTCNR2NPC1
SCHEMBL29610939 0.81 ALDH1A1 (0.50) HPGDALDH1A1HTTCNR2RORC
SCHEMBL29503076 0.81 ALDH1A1 (0.50) HPGDALDH1A1HTTCNR2RORC
SCHEMBL27767481 0.81 ALDH1A1 (0.50) HPGDALDH1A1HTTCNR2RORC
SCHEMBL24494726 0.80 ALDH1A1 (0.57) HPGDALDH1A1HTTCNR2RORC
SCHEMBL462952 0.80 HPGD (0.46) HPGDALDH1A1HTTCNR2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020715-A1 BLUE CURABLE COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, SOLID-STATE IMAGE PICKUP DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-02-16 WO disclosed