SCHEMBL28037117

SCHEMBL28037117

CC(C)COC(C)[CH]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 3/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL17386542 0.78 TSHR (0.41) CYP2D6CYP2C9CYP2C19LMNAHTR2A
SCHEMBL3716502 0.74 TRPA1 (0.40) HTR2AALDH1A1TSHR
SCHEMBL6111396 0.71 NPC1 (0.40) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL28089554 0.71 NPC1 (0.41) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL9537967 0.69 MEN1 (0.42) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL11704796 0.68 HTR2A (0.45) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL13676858 0.68 TACR1 (0.46) CYP2D6MAPK1HPGDLMNAKDM4E
SCHEMBL3092744 0.68 TAAR1 (0.41) CYP2D6MAPK1HPGDLMNAKDM4E
SCHEMBL7770602 0.68 NPC1 (0.45) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL5670358 0.68 NPC1 (0.45) NPC1MTORTP53CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008407-B Process for producing propylene block copolymer 东邦钛株式会社 2018-03-06 CN disclosed
CN-105008407-A Process for producing propylene block copolymer TOHO TITANIUM CO LTD 2015-10-28 CN disclosed