SCHEMBL29367172

SCHEMBL29367172

O=C(CCCCC(=O)N1Cc2ccccc2C1)N1Cc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
NOTUM Q6P988 2/20 0.57
HPGD P15428 2/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NAMPT P43490 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HTR1A P08908 4/20 0.52
DRD2 P14416 4/20 0.52
DPP4 P27487 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL28500343 0.98 HDAC3 (0.66) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL550056 0.92 HDAC3 (0.56) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL4689799 0.89 HDAC3 (0.57) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL6232316 0.88 DPP8 (0.58) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL5068881 0.88 NOTUM (0.53) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL28893796 0.88 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL24817140 0.86 NOTUM (0.52) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL29987139 0.86 NOTUM (0.52) HDAC3HDAC1HDAC10HDAC11NOTUM
SCHEMBL4773392 0.81 NOTUM (0.61) NOTUMSMN1; SMN2NAMPTLMNADPP4
SCHEMBL25143330 0.81 NOTUM (0.55) HDAC3HDAC1HDAC10HDAC11NOTUM

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
EP-4217412-A1 WASTE MITIGATION METHODS AND MATERIALS Finite Research Ltd (GB) 2023-08-02 EP disclosed
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
WO-2022023916-A1 WASTE MITIGATION METHODS AND MATERIALS LI, Zhenzhen (CN) 2022-02-03 WO disclosed