SCHEMBL29315729

SCHEMBL29315729

C=CC(=O)OCCc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 6/20 0.45
HPGD P15428 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 2/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL29315731 0.93 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315733 0.92 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315735 0.91 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315734 0.91 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL226076 0.87 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29372447 0.87 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315737 0.85 KDM4E (0.60) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315751 0.85 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4383659 0.84 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315787 0.84 NPC1 (0.52) 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