SCHEMBL28297150

SCHEMBL28297150

C#Cc1ccc(C(C)(C)C(C)(C)c2ccc(C#C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
HDAC8 Q9BY41 3/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL165547 0.84 KIF11 (0.52) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL5181294 0.84 ESR1 (0.46) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL31403398 0.82 KIF11 (0.50) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL17729292 0.80 PDE2A (0.45) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL201758 0.80 PTPN1 (0.47) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL27635840 0.78 KIF11 (0.63) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL450726 0.78 PTPN1 (0.48) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL28871 0.76 HDAC8 (0.59) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL720150 0.76 PTPN1 (0.47) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL13729097 0.75 SMN1; SMN2 (0.46) PTPN1HDAC8GABRPGABRDGABRA1

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
CN-109734959-A A kind of heat-resistance type radical initiator and its preparation method and application 清远市普塞呋磷化学有限公司 2019-05-10 CN disclosed