SCHEMBL21137680

SCHEMBL21137680

CC#CCCCC(=O)NCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
EPHX2 P34913 6/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.36
SELP P16109 1/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL13539326 0.81 PPARG (0.46) HPGDEPHX2CYP1A2CYP2C9SMN1; SMN2
SCHEMBL22561261 0.79 FAAH (0.53) HPGDEPHX2CYP1A2CYP2C9SMN1; SMN2
SCHEMBL24390753 0.77 SELP (0.46) HPGDEPHX2CYP1A2SMN1; SMN2KDM4E
SCHEMBL22561413 0.75 CYP1A2 (0.50) HPGDEPHX2CYP1A2CYP2C9SMN1; SMN2
SCHEMBL22040693 0.75 HDAC3 (0.52) CYP1A2CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL6344936 0.75 HPGD (0.54) HPGDEPHX2CYP1A2SMN1; SMN2KDM4E
SCHEMBL16625022 0.75 HPGD (0.54) HPGDEPHX2CYP1A2SMN1; SMN2KDM4E
SCHEMBL3914202 0.75 HPGD (0.54) HPGDEPHX2CYP2D6CYP2C19
SCHEMBL9570167 0.75 HPGD (0.54) HPGDEPHX2CYP1A2SMN1; SMN2KDM4E
SCHEMBL21786998 0.73 HPGD (0.53) HPGDEPHX2CYP1A2CYP2C9CYP2D6

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
WO-2019114666-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-06-20 WO disclosed