SCHEMBL28706018

SCHEMBL28706018

CCCCC(N)C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
DPP7 Q9UHL4 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
SPHK1 Q9NYA1 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MALT1 Q9UDY8 2/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.38
P2RX7 Q99572 2/20 0.38

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
SCHEMBL28684177 0.90 KCNH2 (0.62) KCNH2DPP7HDAC8METAP2METAP1
SCHEMBL27212676 0.82 KCNH2 (0.68) KCNH2DPP7SPHK1ALDH1A1
Hydrochloric Acid SCHEMBL29385897 0.81 KCNH2 (0.69) KCNH2DPP7SPHK1ALDH1A1
SCHEMBL28693951 0.81 ERAP2 (0.52) KCNH2SPHK1CHEK1
SCHEMBL28700283 0.77 KCNH2 (0.47) KCNH2METAP2METAP1
SCHEMBL28690363 0.77 KCNH2 (0.58) KCNH2HDAC8METAP2METAP1HTT
SCHEMBL29696192 0.76 KCNH2 (0.87) KCNH2DPP7HDAC8SPHK1
SCHEMBL27212681 0.76 KCNH2 (0.87) KCNH2DPP7HDAC8SPHK1
SCHEMBL14920505 0.76 TSHR (0.56) LMNAMAPK1NLRP1ALDH1A1P2RX7
Hydrochloric Acid SCHEMBL29385528 0.75 KCNH2 (0.87) KCNH2DPP7HDAC8SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114051496-B Derivative compounds for introducing biphenyl into novel amino alkanoic acids and antifungal pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2023-08-04 CN claimed
CN-114051496-A Derivative compound for introducing biphenyl group into novel amino alkanoic acid and antifungal pharmaceutical composition comprising same 阿米蒂比奥有限公司 2022-02-15 CN claimed
CN-116887821-A Derivative compound for introducing biphenyl into novel amino alkanoic acid and anti-inflammatory composition containing the same 阿米蒂比奥有限公司 2023-10-13 CN disclosed
CN-114051496-B Derivative compounds for introducing biphenyl into novel amino alkanoic acids and antifungal pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2023-08-04 CN disclosed
CN-114051496-A Derivative compound for introducing biphenyl group into novel amino alkanoic acid and antifungal pharmaceutical composition comprising same 阿米蒂比奥有限公司 2022-02-15 CN disclosed