SCHEMBL21158020

SCHEMBL21158020

CCC(C)(CC)C(=O)c1cc(C(C)=O)cc(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.41
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ SERPINE1 P05121 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL21919758 0.89 CA5A (0.36) CA5ALMNAKMT2AHSD17B1
SCHEMBL21157993 0.83 CA5A (0.41) CA5ALMNAKMT2AHSD17B1CREBBP
SCHEMBL15342884 0.83 KMT2A (0.48) LMNAKMT2AHSD17B1POLBEPHX2
SCHEMBL10026130 0.79 SERPINE1 (0.50) CA5ALMNAPOLBSERPINE1L3MBTL1
SCHEMBL20081133 0.76 ELANE (0.37) CA5ALMNAKMT2A
SCHEMBL18769406 0.75 CA5A (0.41) CA5ALMNAKMT2AHSD17B1CREBBP
SCHEMBL669554 0.74 CA5A (0.67) CA5ALMNAKMT2AHSD17B1PKM
SCHEMBL21124834 0.73 HDAC3 (0.42) KMT2ANPC1RAB9AHPGD
SCHEMBL22420533 0.73 CYP2C9 (0.49) KMT2APKMPOLBNR1H4NPC1
SCHEMBL12508632 0.73 ACHE (0.41) POLBL3MBTL1NPC1RAB9A

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
EP-3145985-B1 FUNCTIONALIZED POLYMER PARTICLES FOR USE AS TOUGHENING AGENT CYTEC IND INC (US) 2019-07-10 — — EP disclosed
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