SCHEMBL30985372

SCHEMBL30985372

NC(=O)CCCCC(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
EPHX2 P34913 1/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SPHK1 Q9NYA1 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34

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
SCHEMBL30985315 0.98 TP53 (0.43) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL30985338 0.98 TP53 (0.43) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL30985368 0.98 TP53 (0.43) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL28554049 0.92 CCNA2 (0.36) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL13771349 0.90 TP53 (0.40) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL26190346 0.90 SMN1; SMN2 (0.41) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL13771143 0.88 TP53 (0.42) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL28571572 0.88 TP53 (0.42) HPGDTP53ALOX12SMN1; SMN2USP2
SCHEMBL29400724 0.88 NAAA (0.41) HPGDTP53ALOX12MEN1KMT2A
SCHEMBL13771295 0.88 TP53 (0.42) HPGDTP53ALOX12SMN1; SMN2USP2

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
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed