SCHEMBL25767473

SCHEMBL25767473

CC(C)(C)CC(CN)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PRSS1 P07477 2/20 0.42
▸ ACR P10323 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 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
SCHEMBL26192731 0.90 NPC1 (0.46) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL14469534 0.86 MAPT (0.46) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL22245549 0.86 MAPT (0.46) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL24744832 0.84 ALDH1A1 (0.48) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL26192795 0.84 KMT2A (0.56) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL25150616 0.81 MAPT (0.49) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL20844255 0.80 PRSS1 (0.37) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL25833293 0.80 MAPT (0.48) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL18459348 0.80 MAPT (0.59) ALDH1A1MAPTPRSS1ACRNPC1
SCHEMBL24293932 0.79 MAPT (0.50) ALDH1A1MAPTPRSS1ACRNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217789-A1 OPTICAL LAMINATE AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-07-06 — — US disclosed
Send feedback