SCHEMBL29315740

SCHEMBL29315740

C=CC(=O)OCCCCCOc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 8/20 0.55
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
MAPT P10636 9/20 0.53
HPGD P15428 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 4/20 0.44
THRB P10828 2/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
HTT P42858 2/20 0.43
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL29315741 1.00 KDM4E (0.58) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315739 0.99 KDM4E (0.59) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315738 0.97 KDM4E (0.59) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315737 0.94 KDM4E (0.60) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315780 0.91 NPC1 (0.57) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315779 0.91 NPC1 (0.57) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315778 0.90 NPC1 (0.58) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315749 0.89 NPC1 (0.56) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315746 0.89 NPC1 (0.56) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL29315744 0.88 NPC1 (0.57) KDM4EPOLBALDH1A1NPC1RAB9A

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