SCHEMBL28617754

SCHEMBL28617754

NC(CC1CCCCC1)(C(=O)OC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.42
ATM Q13315 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL28617753 1.00 KLK7 (0.42) KLK7ATMCRHBPCRHR2L3MBTL1
SCHEMBL7205002 0.73 FNTA (0.38) KLK7KIF11MEN1KMT2AOPRK1
SCHEMBL27893367 0.70 ATM (0.45) ATML3MBTL1NPC1RAB9AKDM4E
SCHEMBL7205034 0.68 FNTA (0.37) KLK7KIF11MEN1KMT2AOPRK1
SCHEMBL27538081 0.65 ALDH1A1 (0.43) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7205030 0.65 MMP2 (0.48) KLK7KIF11
SCHEMBL11282539 0.64 FABP7 (0.46) KDM4EMEN1ALDH1A1GAAHTT
SCHEMBL27893366 0.64 MEN1 (0.44) ATML3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL7299993 0.64 NPC1 (0.42) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL8773484 0.63 HDAC1 (0.61) ATMNPC1RAB9AKDM4EMEN1

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-113214101-B Synthesis method of L-tert-leucine and L-cyclohexylalanine 泰州天鸿生化科技有限公司 2022-05-31 CN disclosed
CN-113214101-A Synthesis method of L-tert-leucine and L-cyclohexylalanine 泰州天鸿生化科技有限公司 2021-08-06 CN disclosed