SCHEMBL29315775

SCHEMBL29315775

CCC(=O)OCCOC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 7/20 0.60
KDM4E B2RXH2 7/20 0.60
HPGD P15428 6/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 2/20 0.57
IGF2BP2 Q9Y6M1 1/20 0.50
THRB P10828 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28710441 0.87 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320693 0.85 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315778 0.81 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315776 0.81 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315779 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320728 0.80 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320726 0.80 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315780 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11593974 0.79 NPC1 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL563078 0.78 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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