SCHEMBL29315840

SCHEMBL29315840

C=C(C)C(=O)OCCCCCCOC(=O)c1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 5/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 4/20 0.39

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
SCHEMBL29315826 1.00 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315830 0.99 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315832 0.97 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315819 0.95 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315843 0.87 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315848 0.87 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315796 0.86 KDM4E (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315799 0.86 KDM4E (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315753 0.85 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315803 0.85 KDM4E (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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