SCHEMBL11036231

SCHEMBL11036231

COc1c(C)c(C)nn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 5/20 0.40
▸ POLB P06746 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ GFER P55789 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ P2RX7 Q99572 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
SCHEMBL11615839 0.83 PTGDR2 (0.47) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11618315 0.81 PTGDR2 (0.48) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11618423 0.79 PTGDR2 (0.44) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11616149 0.75 TP53 (0.42) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11615866 0.74 PTGDR2 (0.45) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11610569 0.74 PTGDR2 (0.47) PTGDR2SMN1; SMN2TP53POLBGAA
SCHEMBL21523724 0.74 GAA (0.72) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11618741 0.73 PTGDR2 (0.42) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL11617170 0.72 PTGDR2 (0.41) PTGDR2SMN1; SMN2TP53LMNAPOLB
SCHEMBL13692164 0.71 LMNA (0.63) SMN1; SMN2LMNAPOLBHTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59144762-A — — None — — JP disclosed
JP-S59144762-A PYRAZOLE DERIVATIVE MARUKO SEIYAKU KK 1984-08-18 — — JP disclosed
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