SCHEMBL11380256

SCHEMBL11380256

CC(CCCOc1ccccc1)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)C=C21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ KCNE1 P15382 1/20 0.31
▸ KCNQ1 P51787 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11383035 0.96 S1PR1 (0.33) KDRRIPK1CNR2
SCHEMBL11374129 0.88 KDR (0.35) KDR
SCHEMBL11381338 0.87 KDR (0.36) KDR
SCHEMBL11384600 0.86 KDR (0.32) KDRRIPK1
SCHEMBL11375232 0.82 RIPK1 (0.31) RIPK1CNR2
SCHEMBL11376572 0.81 KDR (0.34) KDR
SCHEMBL11596461 0.78 — —
SCHEMBL11387518 0.77 RAB9A (0.49) RIPK1
SCHEMBL11491168 0.77 RIPK1 (0.36) RIPK1
SCHEMBL11385079 0.74 PTPN1 (0.34) KDRCNR2TDP1

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
US-4243674-A HYPOTENSIVE AGENTS; ANALGESICS; ANTISECRETORY AGENTS; ANTIBODY INHIBITORS, AND TRANQUILIZERS PFIZER INC. (US) 1981-01-06 — — US disclosed
US-4143139-A ANALGESICS, HYPOTENSIVES, IMMUNOSUPPRESSANTS, TRANQUILIZERS, ANTISECRETORY, ANTI-ANXIETY PFIZER INC. (US) 1979-03-06 — — US disclosed
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