SCHEMBL28559488

SCHEMBL28559488

Cc1cccc2[nH]c3c(c12)CCCCCC3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 3/20 0.43
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
CFTR P13569 1/20 0.40
PARP1 P09874 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
SCHEMBL28549389 1.00 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1EGFRACHE
SCHEMBL31447943 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1EGFRMAPT
SCHEMBL20117993 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1EGFRPARP1
SCHEMBL11843637 0.79 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1EGFRMAPT
SCHEMBL11163975 0.79 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1EGFRACHE
SCHEMBL4101907 0.78 HTR2C (0.54) SMN1; SMN2KDM4EALDH1A1EGFRACHE
SCHEMBL21621771 0.78 TAAR1 (0.55) KDM4EALDH1A1CFTRPARP1
SCHEMBL31020970 0.78 TAAR1 (0.55) KDM4EALDH1A1CFTRPARP1
Hydrochloric Acid SCHEMBL23828286 0.77 TAAR1 (0.58) KDM4EALDH1A1CFTRPARP1
Hydrochloric Acid SCHEMBL10407659 0.77 NISCH (0.55) KDM4ELMNACFTR

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-105503699-B Oxocarbon compound, resin composition containing the same, and filter containing the resin composition 株式会社日本触媒 2021-05-11 CN disclosed