SCHEMBL6567861

SCHEMBL6567861

CC(C)c1ccc(C(=O)OC(=O)CCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ EPHX1 P07099 1/20 0.46
▸ USP5 P45974 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43

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
SCHEMBL4740216 0.85 TDP1 (0.61) RAB9AL3MBTL1ALDH1A1NPC1KMT2A
SCHEMBL11631684 0.84 L3MBTL1 (0.62) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL27327027 0.81 NPC1 (0.70) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL10070199 0.80 USP5 (0.65) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL9699992 0.80 TSHR (0.50) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL16174749 0.78 USP5 (0.47) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL29011329 0.78 CYP2C9 (0.61) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
Phenyl Propionic Acid SCHEMBL6567856 0.78 KEAP1 (0.59) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL28381430 0.77 USP5 (0.44) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL21359733 0.76 CYP2C9 (0.44) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2

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
EP-1401510-A1 BIODEGRADABLE POLYMER SYSTEMS Smith & Nephew PLC (GB) 2004-03-31 — — EP disclosed
WO-2003004071-A1 BIODEGRADABLE POLYMER SYSTEMS SMITH & NEPHEW PLC (GB) 2003-01-16 — — WO disclosed
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