SCHEMBL29315815

SCHEMBL29315815

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

nearest known ligand 0.63

Predicted protein targets (top 20)

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 6/20 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 0.54
IGF2BP2 Q9Y6M1 1/20 0.48
THRB P10828 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 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
SCHEMBL29315811 0.94 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315809 0.93 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315821 0.92 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315823 0.92 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320693 0.88 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29575333 0.87 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL285733 0.87 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315791 0.86 KDM4E (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320728 0.86 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29320726 0.86 NPC1 (0.60) 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