SCHEMBL13804898

SCHEMBL13804898

CCCCN(C)C(=O)CSc1ccc2c(c1)C=CCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.37
▸ THRB P10828 2/20 0.34
▸ ACHE P22303 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ THRA P10827 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30

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
SCHEMBL15682853 0.74 TP53 (0.42) MAPTTP53RXFP1THRBSMN1; SMN2
SCHEMBL3989474 0.73 ALDH1A1 (0.52) MAPTTP53RXFP1SMN1; SMN2LMNA
SCHEMBL3998870 0.66 ALDH1A1 (0.54) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL15948520 0.60 ALDH1A1 (0.39) MAPTTP53RXFP1THRBSMN1; SMN2
SCHEMBL5141996 0.59 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1
SCHEMBL7039240 0.58 ALDH1A1 (0.38) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL12312177 0.58 CES2 (0.41) MAPTTP53RXFP1THRBALDH1A1
SCHEMBL11986379 0.57 PPARG (0.46) TP53THRBTHRA
SCHEMBL4146764 0.57 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NPC1
SCHEMBL948161 0.57 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NPC1

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
WO-2009069966-A2 USE OF COMPOUNDS FOR CONTROLLING THE FUNCTION OF SPHINGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2009-06-04 — — WO disclosed
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