SCHEMBL8907901

SCHEMBL8907901

CCCCCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OPOc1c(cc(C(C)(C)CCCCC)cc1C(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.37
CNR2 P34972 13/20 0.36
PTGS2 P35354 2/20 0.34
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL8633940 0.80 ELANE (0.35)
SCHEMBL8634746 0.77 CNR2 (0.35) CNR1CNR2
SCHEMBL10413286 0.74 CNR1 (0.38) CNR1CNR2
SCHEMBL6545688 0.73 TLR4 (0.36)
SCHEMBL8633313 0.73 HSPA5 (0.39) PTGS2ALOX5PTGS1
SCHEMBL10413836 0.72 CNR2 (0.32) CNR1CNR2
SCHEMBL8631061 0.70 SMN1; SMN2 (0.39)
SCHEMBL11233052 0.70 CNR2 (0.51) CNR1CNR2
SCHEMBL11302567 0.69 CNR2 (0.54) CNR1CNR2
SCHEMBL12264041 0.68 NR5A2 (0.34) PTGS2ALOX5PTGS1

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-5600032-A OLIGOMERIZATION OF A CONJUGATED ALKADIENE IN PRESENCE OFPALLADIUM, PHOSPHORUS COMPLEX MITSUBISHI CHEMICAL CORPORATION (JP) 1997-02-04 US disclosed