SCHEMBL29315717

SCHEMBL29315717

C=CC(=O)OCCCCNC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
ADRA1A P35348 1/20 0.38
HPGD P15428 7/20 0.37
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 3/20 0.37
CYP2D6 P10635 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 2/20 0.36
CYP3A4 P08684 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL29315697 0.87 NPC1 (0.42) NPC1LMNARAB9AALDH1A1KDM4E
SCHEMBL29315656 0.85 NPC1 (0.40) NPC1LMNARAB9ADRD2DRD3
SCHEMBL29315693 0.85 NPC1 (0.42) NPC1LMNARAB9AALDH1A1KDM4E
SCHEMBL29315720 0.84 NPC1 (0.41) NPC1LMNARAB9ADRD2DRD3
SCHEMBL29315718 0.84 NPC1 (0.41) NPC1LMNARAB9ADRD2DRD3
SCHEMBL29315715 0.83 TP53 (0.37) NPC1DRD2DRD3ADRA1AHPGD
SCHEMBL29315654 0.82 NPC1 (0.41) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL29315692 0.82 NPC1 (0.44) NPC1LMNARAB9AALDH1A1KDM4E
SCHEMBL29315676 0.81 THRB (0.46) NPC1LMNARAB9AHPGDALDH1A1
SCHEMBL25408635 0.81 LMNA (0.42) NPC1LMNARAB9AHPGDALDH1A1

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