SCHEMBL11480339

SCHEMBL11480339

CC(CCCc1ccccc1)Oc1cc(CO)c2c(c1)OC(C)(C)C1CCC(=O)C=C21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ ADRB2 P07550 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP19A1 P11511 3/20 0.31
▸ MAOB P27338 2/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ MAOA P21397 1/20 0.31

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
SCHEMBL11491168 0.91 RIPK1 (0.36) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL11478506 0.90 MAOB (0.34) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL11482056 0.78 ADRB2 (0.46) ADRB2ADRB1MAPTMAOB
SCHEMBL11374129 0.78 KDR (0.35) —
SCHEMBL11385079 0.78 PTPN1 (0.34) CYP19A1
SCHEMBL11480167 0.76 CNR2 (0.43) —
SCHEMBL11481757 0.76 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL11381338 0.76 KDR (0.36) —
SCHEMBL11383688 0.76 RIPK1 (0.33) MAPTCYP19A1
SCHEMBL11492461 0.74 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235913-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1980-11-25 — — US disclosed
US-4165323-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1979-08-21 — — US disclosed
US-4118559-A CNS AGENTS, ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1978-10-03 — — US disclosed
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