SCHEMBL30904792

SCHEMBL30904792

O=C(O)C=Cc1cccc(B(O)O)c1.[Ti]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
TNKS O95271 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
ENPP2 Q13822 1/20 0.54
TTR P02766 4/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29186330 1.00 NPSR1 (0.57) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1511647 0.98 NPSR1 (0.59) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL856015 0.98 NPSR1 (0.59) NPSR1HDAC3HDAC4HDAC1HDAC7
Ethane SCHEMBL3344169 0.95 NPSR1 (0.56) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15985448 0.83 GLA (0.56) NPSR1ENPP2TTRAPPGLA
SCHEMBL9214261 0.81 ENPP2 (0.69) ENPP2TTRKDM4EALDH1A1CA4
SCHEMBL9214256 0.81 ENPP2 (0.69) ENPP2TTRKDM4EALDH1A1CA4
SCHEMBL271386 0.81 NPSR1 (0.74) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL69146 0.81 NPSR1 (0.74) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24598773 0.80 ENPP2 (0.62) ENPP2TTRKDM4EALDH1A1CA1

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-117843012-A Preparation method for olefin epoxidation TS-1 molecular sieve 天津大学 2024-04-09 CN claimed
CN-117843012-A Preparation method for olefin epoxidation TS-1 molecular sieve 天津大学 2024-04-09 CN disclosed