SCHEMBL29315720

SCHEMBL29315720

CCC(=O)OCCCCCCNC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 8/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.39
NAAA Q02083 1/20 0.39
IDE P14735 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1A P35348 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
SCHEMBL29315718 1.00 NPC1 (0.41) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315714 0.92 NPC1 (0.44) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315702 0.87 HDAC6 (0.47) NPC1LMNARAB9AKDM4EHTT
SCHEMBL29315656 0.85 NPC1 (0.40) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315717 0.84 NPC1 (0.39) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315654 0.82 NPC1 (0.41) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315651 0.80 IARS1 (0.48) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315671 0.79 NPC1 (0.46) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL31361789 0.79 HDAC6 (0.51) NPC1LMNARAB9AKDM4EHDAC6
SCHEMBL6741249 0.79 HDAC6 (0.51) NPC1LMNARAB9AKDM4EHDAC6

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