SCHEMBL29315714

SCHEMBL29315714

CCC(=O)OCCNC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
IARS1 P41252 1/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GBA1 P04062 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
MARS1 P56192 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.39
ACSS2 Q9NR19 1/20 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
SCHEMBL29315720 0.92 NPC1 (0.41) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL29315718 0.92 NPC1 (0.41) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL29315651 0.87 IARS1 (0.48) NPC1RAB9ALMNAIARS1KDM4E
SCHEMBL29315702 0.82 HDAC6 (0.47) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL29315654 0.80 NPC1 (0.41) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL29315656 0.79 NPC1 (0.40) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL29315717 0.78 NPC1 (0.39) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL3963768 0.77 RAB9A (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL29466455 0.77 RAB9A (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL11605049 0.76 NPC1 (0.57) NPC1RAB9ALMNAKDM4EMAPT

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
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed