SCHEMBL11145518

SCHEMBL11145518

O=C(O)C[C@@H]1[C@@H](C(O)=CCCCc2ccccc2)[C@H](O)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO2A1 Q92959 1/20 0.42
▸ PTGFR P43088 5/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL11748741 0.92 SLCO2A1 (0.41) SLCO2A1PTGFRPTGER1PTGER2PTGER3
SCHEMBL11613919 0.92 SLCO2A1 (0.41) SLCO2A1PTGFRPTGER1PTGER2PTGER3
SCHEMBL11607164 0.84 CHRNA7 (0.38) TBXAS1
SCHEMBL11608299 0.84 CHRNA7 (0.38) TBXAS1
SCHEMBL11721380 0.82 TBXAS1 (0.39) SLCO2A1PTGFRPTGER1PTGER2PTGER3
SCHEMBL11545149 0.82 NPC1 (0.37) PTGFRPTGER1PTGER2PTGER3SMN1; SMN2
SCHEMBL11549007 0.82 ALDH1A1 (0.36) SLCO2A1PTGFRPTGER1PTGER3MAPT
SCHEMBL11546964 0.82 NPC1 (0.37) PTGFRPTGER1PTGER2PTGER3SMN1; SMN2
SCHEMBL11147899 0.80 RAB9A (0.42) SMN1; SMN2TBXAS1KDM4E
SCHEMBL11146633 0.80 RAB9A (0.42) SMN1; SMN2TBXAS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4404372-A 15-Substituted-ω-pentanorprostaglandin derivatives PFIZER INC. (US) 1983-09-13 — — US disclosed
EP-0084033-A1 N-PHENYLPYRAZOLE DERIVATIVES. MAY & BAKER LTD (GB) 1983-07-27 — — EP disclosed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 — — WO disclosed
US-4342868-A 2-Descarboxy-2-(tetrazol-5-yl)-16,16-dimethyl-17-(2-furyl)-ω-trisnorprostaglandin E2 PFIZER INC. (US) 1982-08-03 — — US disclosed
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