SCHEMBL7943104

SCHEMBL7943104

Cc1ccc(Cc2ccc(C)cc2C2CCCCC2)c(C2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PSMB5 P28074 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
AMY1A P0DUB6 1/20 0.34
HTR2A P28223 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL5728647 0.80 PTGDR2 (0.46) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL7422191 0.79 PTGDR2 (0.50) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL16954238 0.77 MAPT (0.42) PTGDR2CHRNB2CHRNA4NOS3NOS1
P-Xylene SCHEMBL9420802 0.77 PTGDR2 (0.49) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL19308494 0.76 PTGDR2 (0.47) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL10455337 0.76 NUDT1 (0.54) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL8788647 0.76 PTGDR2 (0.48) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL21994522 0.76 CHRNB2 (0.38) PTGDR2CHRNB2CHRNA4NOS3NOS1
SCHEMBL31717814 0.76 PTGDR2 (0.48) PTGDR2RAB9ANPC1PSMB5CHRNB2
SCHEMBL2702248 0.76 NUDT1 (0.54) PTGDR2RAB9ANPC1PSMB5CHRNB2

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-6265620-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING METAL OF GROUP 8 TO 10 AND TRIVALENT ORANIC PHOSPHORUS COMPOUND TO PRODUCE ALDEHYDE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-24 US disclosed