SCHEMBL30403445

SCHEMBL30403445

CC(C)(C)c1cccc(OP(O)Oc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ SOD1 P00441 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACHE P22303 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ RAF1 P04049 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
SCHEMBL28357573 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL7942262 0.90 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL9460334 0.89 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL7942258 0.85 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL561428 0.84 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL12746697 0.81 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL7942255 0.81 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HDAC8HDAC4
SCHEMBL11210654 0.81 PPARG (0.48) L3MBTL1MAPTMAPK1ALDH1A1TDP1
SCHEMBL28394865 0.79 GABRA1 (0.46) CYP2C19LMNAPOLBMAPTRXRA
SCHEMBL29003391 0.79 ALDH1A1 (0.39) LMNAL3MBTL1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116194835-A Fluorescent material 住友化学株式会社 2023-05-30 — — CN disclosed
CN-116157734-A Fluorescent material 住友化学株式会社 2023-05-23 — — CN disclosed
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