SCHEMBL23928101

SCHEMBL23928101

CCC(O)C(=O)c1cccc(Cc2ccc(C(=O)C(C)(C)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
KMT2A Q03164 1/20 0.34
PLA2G2A P14555 3/20 0.34
PLA2G10 O15496 2/20 0.34
ACHE P22303 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC7A5 Q01650 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL15124487 0.88 KMT2A (0.41) LMNAHDAC1HDAC6NR1H4KMT2A
SCHEMBL19971919 0.87 LMNA (0.39) LMNAHDAC1HDAC6CA1CA2
SCHEMBL1852520 0.85 LMNA (0.46) LMNAHDAC1HDAC6CA1CA2
SCHEMBL13930174 0.82 LMNA (0.41) LMNAHDAC1HDAC6CA1CA2
SCHEMBL15197912 0.79 CYP2D6 (0.46) LMNAHDAC1HDAC6CA1CA2
SCHEMBL31393489 0.77 LMNA (0.44) LMNAHDAC1HDAC6CA1CA2
SCHEMBL29256743 0.76 LMNA (0.56) LMNAHDAC1HDAC6KMT2APLA2G2A
SCHEMBL153898 0.76 KMT2A (0.56) LMNAHDAC1HDAC6CA2NR1H4
SCHEMBL26799823 0.74 KMT2A (0.43) LMNAHDAC1HDAC6NR1H4KMT2A
SCHEMBL4430370 0.74 LMNA (0.46) LMNAHDAC1HDAC6CA1CA2

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
US-20210332175-A1 ULTRAVIOLET CURABLE SILICONE COMPOSITION AND CURED PRODUCT THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-28 US disclosed