SCHEMBL17431013

SCHEMBL17431013

COc1ccc(-c2ccc(OC(=O)c3ccc(OCOCC4CCC5OC5C4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GFER P55789 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ ACR P10323 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGIR P43119 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL16172290 0.92 PARP15 (0.41) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730728 0.90 KMT2A (0.42) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12787696 0.89 MAPT (0.46) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730697 0.87 NPC1 (0.41) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12731026 0.87 NPC1 (0.41) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730700 0.87 NPC1 (0.41) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730717 0.86 NPC1 (0.42) LMNAKMT2AKDM4EALDH1A1NPC1
SCHEMBL17431012 0.84 PTGIR (0.37) KDM4EALDH1A1TDP1PTGIR
SCHEMBL12786957 0.84 NPC1 (0.44) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730656 0.84 MAPT (0.40) MAPTLMNAKMT2AKDM4EALDH1A1

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-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 — — US disclosed
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