SCHEMBL29315799

SCHEMBL29315799

C=C(C)C(=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 2/20 0.58
SMN1; SMN2 Q16637 9/20 0.58
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
ALDH1A1 P00352 7/20 0.58
MAPT P10636 8/20 0.53
HPGD P15428 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 3/20 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 3/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 4/20 0.43
APEX1 P27695 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL29315796 1.00 KDM4E (0.58) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315803 0.99 KDM4E (0.59) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315789 0.97 KDM4E (0.59) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315791 0.94 KDM4E (0.60) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29320728 0.91 NPC1 (0.60) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29320726 0.91 NPC1 (0.60) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315823 0.89 NPC1 (0.58) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315821 0.89 NPC1 (0.58) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315809 0.88 NPC1 (0.59) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL29315840 0.86 NPC1 (0.48) KDM4EPOLBSMN1; SMN2NPC1RAB9A

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