SCHEMBL29315811

SCHEMBL29315811

C=C(C)C(=O)OCCCC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 7/20 0.58
KDM4E B2RXH2 6/20 0.58
HPGD P15428 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 2/20 0.53
IGF2BP2 Q9Y6M1 1/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 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
SCHEMBL29315809 0.97 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315821 0.96 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315823 0.96 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315815 0.94 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320728 0.88 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320726 0.88 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315789 0.88 KDM4E (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315803 0.88 KDM4E (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320693 0.87 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315796 0.87 KDM4E (0.58) 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