SCHEMBL11258879

SCHEMBL11258879

CCCCCC(C)C(C)c1cc(OC)cc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
MGLL Q99685 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP9 P14780 4/20 0.36
MMP13 P45452 4/20 0.36
ADAM17 P78536 4/20 0.36
MMP1 P03956 3/20 0.36
GPR139 Q6DWJ6 1/20 0.36
ERAP2 Q6P179 2/20 0.36
LNPEP Q9UIQ6 2/20 0.36

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
SCHEMBL11565356 0.83 PTGS2 (0.39) MMP9MMP13ADAM17MMP1
SCHEMBL11832526 0.82 GPR84 (0.39) MMP9MMP13ADAM17MMP1
SCHEMBL10652423 0.80 PTGS2 (0.51)
SCHEMBL11262297 0.75 PTGS2 (0.39)
SCHEMBL31032937 0.74 CA1 (0.47) HSD17B10MEN1KMT2ACA1CA2
SCHEMBL10472667 0.74 PLA2G2A (0.51)
SCHEMBL10474369 0.74 PLA2G2A (0.51)
SCHEMBL10472694 0.74 PLA2G2A (0.51)
SCHEMBL10474384 0.73 PLA2G2A (0.38) HSD17B10TAS1R3TAS1R1MMP9MMP13
SCHEMBL10475096 0.73 PLA2G2A (0.38) HSD17B10TAS1R3TAS1R1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341906-A ANALGESICS PFIZER INC. (US) 1982-07-27 US disclosed
US-4310669-A TETRALONE PFIZER INC. (US) 1982-01-12 US disclosed
US-4310529-A ANALGESICS PFIZER INC. (US) 1982-01-12 US disclosed
US-4310668-A Intermediates to 1,9-dihydroxyoctahydrophenanthrenes PFIZER INC. (US) 1982-01-12 US disclosed
US-4270005-A ANALGESICS PFIZER INC. (US) 1981-05-26 US disclosed
US-4268523-A ANALGESICS PFIZER INC. (US) 1981-05-19 US disclosed
US-4268692-A ANALGESICS PFIZER INC. (US) 1981-05-19 US disclosed
US-4237133-A ANALGESICS PFIZER INC. (US) 1980-12-02 US disclosed
US-4188495-A 1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor PFIZER INC. (US) 1980-02-12 US disclosed