SCHEMBL6917217

SCHEMBL6917217

CCc1c(CC)c(CC)c2ccccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 6/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
PKM P14618 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ABCB11 O95342 1/20 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
SCHEMBL14533464 0.91 GABRA1 (0.39) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL10895595 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL11305916 0.86 GABRA1 (0.42) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL8821847 0.85 TP53 (0.43) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL31152500 0.84 KDM4E (0.50) ALDH1A1KDM4EHPGDLMNAHTT
Ammonia Solution, Strong SCHEMBL2364100 0.83 TP53 (0.41) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL6912467 0.83 KDM4E (0.42) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL6912463 0.83 HTT (0.41) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL10699533 0.82 HTT (0.43) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL7918982 0.80 TP53 (0.43) ALDH1A1KDM4EHPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118925457-A Gas dehydration method and gas dehydration device 中国天辰工程有限公司 2024-11-12 CN claimed
CN-118925457-A Gas dehydration method and gas dehydration device 中国天辰工程有限公司 2024-11-12 CN disclosed
US-20040075802-A1 Sealant for liquid crystal display cell, composition for liquid crystal display cell sealant and liquid crystal display element MITSUI CHEMICALS, INC. (JP) 2004-04-22 US disclosed
EP-1153952-A1 SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, COMPOSITION FOR SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, AND LIQUID-CRYSTAL DISPLAY ELEMENT Mitsui Chemicals, Inc. (JP) 2001-11-14 EP disclosed