SCHEMBL29198379

SCHEMBL29198379

CCCC(Cl)CCCC(C)c1ccc2oc3ccccc3c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PGAM1 P18669 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASP3 P42574 1/20 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
SCHEMBL28304138 0.80 MAOA (0.42) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL11815065 0.79 MAOA (0.55) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL28284760 0.78 MAOA (0.45) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL18174891 0.78 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1CYP3A4
SCHEMBL29198382 0.76 CYP1A2 (0.46) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL27577129 0.75 CYP19A1 (0.42) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL4426956 0.74 MAOA (0.60) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL11812991 0.70 MAOA (0.53) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL9319212 0.70 MAOA (0.42) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL11861909 0.69 KDM4E (0.61) NPC1RAB9AKDM4EALDH1A1HPGD

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
CN-117784522-A Curable composition and method for producing same 株式会社钟化 2024-03-29 — — CN disclosed
Send feedback