SCHEMBL27431550

SCHEMBL27431550

[CH2]Cc1cc2c(C)cccc2n1CCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ F10 P00742 3/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL27343262 0.83 KDM4E (0.54) KDM4EALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL7957934 0.80 F10 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27354976 0.79 TNF (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19013560 0.69 NR1H2 (0.43) L3MBTL1SLC9A1
SCHEMBL24147672 0.69 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19013496 0.68 NR1H2 (0.42) L3MBTL1SLC9A1
SCHEMBL29631856 0.68 NR1H2 (0.42) L3MBTL1SLC9A1
SCHEMBL7358822 0.67 GAA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Ethoxycarbonyl Group SCHEMBL27490855 0.67 CREBBP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20097079 0.66 KDM4E (0.39) KDM4EALDH1A1L3MBTL1SLC9A1POLB

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-1058969-C Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof SUMITOMO PHARMA (JP) 2000-11-29 — — CN disclosed
Send feedback