SCHEMBL28045649

SCHEMBL28045649

CC(C)c1ccc(-n2cccc2)c(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H3 Q13133 1/20 0.36
LMNA P02545 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALOX12 P18054 3/20 0.33
GAA P10253 2/20 0.33
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
HIF1A Q16665 2/20 0.33
PKM P14618 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL2608432 0.81 LMNA (0.42) ALDH1A1LMNATRPA1PKMKDM4E
SCHEMBL12190504 0.75 FAAH (0.52) ALDH1A1MAPTNR1H3LMNAGABRA1
SCHEMBL19726448 0.75 ALDH1A1 (0.41) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL13222035 0.75 ALDH1A1 (0.60) ALDH1A1MAPTLMNAPKMKIF11
SCHEMBL9893479 0.72 PTGS1 (0.36) ALDH1A1HTTNR1H3LMNAGABRA1
SCHEMBL9893452 0.72 GABRA1 (0.41) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL20883553 0.71 ADRB1 (0.42) MAPTLMNA
SCHEMBL9893478 0.70 NR1H3 (0.34) ALDH1A1HTTNR1H3LMNAGABRA1
SCHEMBL778017 0.69 LMNA (0.46) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL29630154 0.69 LMNA (0.46) ALDH1A1HTTMAPTNPC1RAB9A

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-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 CN claimed
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 CN disclosed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 CN disclosed