SCHEMBL21295580

SCHEMBL21295580

C/C=C(\CCCC)C(=O)NN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
DNM1 Q05193 3/20 0.37
TP53 P04637 1/20 0.37
KDM7A Q6ZMT4 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CA1 P00915 1/20 0.35
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
HSP90AA1 P07900 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2485218 1.00 ALDH1A1 (0.43) ALDH1A1CES1CES2DNM1TP53
SCHEMBL21295514 0.88 KDM7A (0.39) ALDH1A1CES1CES2KDM7APHF8
SCHEMBL21295505 0.79 KDM7A (0.37) KDM7APHF8KDM2A
SCHEMBL2481841 0.79 KDM7A (0.37) KDM7APHF8KDM2A
SCHEMBL7644797 0.76 ALDH1A1 (0.43) ALDH1A1CES1CES2DNM1TP53
SCHEMBL28714835 0.76 EPHX2 (0.47)
SCHEMBL19439713 0.74 KDM7A (0.58) ALDH1A1CES1CES2DNM1TP53
SCHEMBL23323306 0.72 EPHX1 (0.46) ALDH1A1CES1CES2POLBKDM4E
SCHEMBL481537 0.72 CES1 (0.48) ALDH1A1CES1CES2TP53CA1
SCHEMBL3344502 0.72 CES1 (0.48) ALDH1A1CES1CES2TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115820119-A Resin composition, coating agent, and article DIC株式会社 2023-03-21 CN disclosed
CN-108699392-B High-durability antifogging coating film and coating composition 旭化成株式会社 2021-11-23 CN disclosed
WO-2019163918-A1 HIGH-DURABILITY ANTIFOGGING COATING FILM AND COATING COMPOSITION 旭化成株式会社 2019-08-29 WO disclosed