SCHEMBL13960100

SCHEMBL13960100

CCc1ccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.80
S1PR5 Q9H228 2/20 0.68
ALOX15 P16050 1/20 0.68
S1PR3 Q99500 6/20 0.66
S1PR4 O95977 1/20 0.66
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GPR55 Q9Y2T6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2929238 0.90 S1PR1 (0.82) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL13416529 0.90 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL2935270 0.89 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL13417142 0.89 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL1413283 0.84 S1PR1 (0.88) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL3821552 0.83 S1PR1 (0.74) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL27937903 0.83 S1PR1 (0.70) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL3826033 0.83 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL4619556 0.81 S1PR1 (0.64) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL29389224 0.81 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4

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-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 US disclosed