SCHEMBL3877271

SCHEMBL3877271

CC(C)(C)c1cccc(Oc2ccccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.50
IDO1 P14902 1/20 0.48
CTNNB1 P35222 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
TSHR P16473 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL28949736 0.87 BRAF (0.44) KDM4EPOLBIDO1CTNNB1NPSR1
SCHEMBL8373993 0.86 MAPT (0.57) KDM4EPOLBCTNNB1NPSR1L3MBTL1
SCHEMBL30775042 0.85 RXFP1 (0.58) KDM4EPOLBCTNNB1ALDH1A1HPGD
SCHEMBL6791603 0.85 RXFP1 (0.58) KDM4EPOLBCTNNB1ALDH1A1HPGD
SCHEMBL28949738 0.85 CYP3A4 (0.43) KDM4EPOLBIDO1CTNNB1NPSR1
SCHEMBL10686662 0.85 NPSR1 (0.55) KDM4EPOLBHTTCTNNB1NPSR1
SCHEMBL28560551 0.84 KDM4E (0.63) KDM4EPOLBHTTCTNNB1ALDH1A1
SCHEMBL29539667 0.83 NPSR1 (0.56) KDM4EPOLBHTTCTNNB1NPSR1
SCHEMBL294263 0.83 NPSR1 (0.56) KDM4EPOLBHTTCTNNB1NPSR1
SCHEMBL28264707 0.82 KDM4E (0.61) KDM4EPOLBHTTCTNNB1ALDH1A1

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
EP-2135916-A2 LIGHT-CONVERTING MATERIAL AND A COMPOSITION FOR THE PRODUCTION THEREOF Vorobiev, Victor Andreevich (RU) 2009-12-23 EP disclosed