SCHEMBL29315738

SCHEMBL29315738

C=CC(=O)OCCCOc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
ALDH1A1 P00352 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
MAPT P10636 10/20 0.53
HPGD P15428 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 5/20 0.45
THRB P10828 2/20 0.45
IGF2BP2 Q9Y6M1 1/20 0.45
HTT P42858 3/20 0.41
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL29315739 0.98 KDM4E (0.59) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315740 0.97 KDM4E (0.58) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315741 0.97 KDM4E (0.58) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315737 0.94 KDM4E (0.60) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315776 0.91 NPC1 (0.58) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315778 0.89 NPC1 (0.58) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315780 0.88 NPC1 (0.57) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315743 0.88 NPC1 (0.58) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315779 0.88 NPC1 (0.57) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29315744 0.87 NPC1 (0.57) KDM4EPOLBNPC1RAB9AALDH1A1

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