SCHEMBL31413485

SCHEMBL31413485

CCOC(=O)c1cc2cc(C3=CCOCC3)ccc2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ GABRA1 P14867 7/20 0.39
▸ GABRG2 P18507 7/20 0.39
▸ GABRB3 P28472 7/20 0.39
▸ GABRA5 P31644 7/20 0.39
▸ GABRA3 P34903 7/20 0.39
▸ GABRA2 P47869 7/20 0.39
▸ GABRA4 P48169 7/20 0.39
▸ GABRA6 Q16445 7/20 0.39
▸ GABRP O00591 6/20 0.39
▸ GABRD O14764 6/20 0.39
▸ GABRB1 P18505 6/20 0.39
▸ GABRB2 P47870 6/20 0.39
▸ GABRE P78334 6/20 0.39
▸ GABRG1 Q8N1C3 6/20 0.39
▸ GABRG3 Q99928 6/20 0.39
▸ GABRQ Q9UN88 6/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CLK1 P49759 1/20 0.39

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
SCHEMBL27151053 1.00 PIK3CD (0.40) PIK3CDPIK3CAGABRA1GABRG2GABRB3
SCHEMBL27143486 0.84 LCK (0.43) PIK3CDPIK3CAHTR1DSYKIDH1
SCHEMBL31413391 0.84 LCK (0.43) PIK3CDPIK3CAHTR1DSYKIDH1
SCHEMBL28901595 0.78 IKBKE (0.44) PIK3CDPIK3CAHTR1DSYKIKBKE
SCHEMBL23749652 0.75 MMP13 (0.57) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL30216943 0.75 MMP13 (0.57) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL21014272 0.75 KDM4E (0.50) PIK3CDPIK3CAGABRA2GABRB2NPC1
SCHEMBL20572321 0.74 MAP3K5 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31229827 0.73 ALDH1A1 (0.43) NPC1RAB9AHTR1DLMNAKDM4E
SCHEMBL15868145 0.73 FAAH (0.44) NPC1RAB9AHTR1DLMNAKDM4E

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-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
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