SCHEMBL29315780

SCHEMBL29315780

C=CC(=O)OCCCCCCOC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MAPT P10636 7/20 0.53
KDM4E B2RXH2 6/20 0.53
HPGD P15428 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
THRB P10828 2/20 0.46
IGF2BP2 Q9Y6M1 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL29315779 1.00 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315778 0.99 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315776 0.97 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315741 0.91 KDM4E (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315740 0.91 KDM4E (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315749 0.90 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315746 0.90 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315739 0.90 KDM4E (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315744 0.89 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315743 0.88 NPC1 (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