SCHEMBL21185486

SCHEMBL21185486

C/C=C\C(=C/CC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
SRD5A2 P31213 1/20 0.37
LMNA P02545 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TYR P14679 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 2/20 0.35

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
SCHEMBL21094943 0.83 HDAC1 (0.44) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL22600767 0.78 ATM (0.41) RAB9ANPC1KMT2AMAPTLMNA
SCHEMBL6838561 0.75 HTT (0.36) HDAC1ALDH1A1HTTKMT2AHIF1A
SCHEMBL6838562 0.75 HTT (0.36) HDAC1ALDH1A1HTTKMT2AHIF1A
SCHEMBL15826777 0.74 ACHE (0.32) HDAC8
SCHEMBL22404095 0.71 HDAC1 (0.42) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL21398973 0.70
SCHEMBL19871616 0.69 MAPT (0.39) ALDH1A1MAPTHPGDSMN1; SMN2L3MBTL1
SCHEMBL24329931 0.67 MAPT (0.41) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL25893106 0.67 HDAC1 (0.39) HDAC1RAB9AALDH1A1NPC1MEN1

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
US-20190229271-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRONIC ELEMENT DUK SAN NEOLUX CO., LTD. (KR) 2019-07-25 US disclosed