SCHEMBL9090304

SCHEMBL9090304

O=C(O)CCCCC1=C[C@@H]2C[C@H](O)[C@@H](C(O)=CCCCc3ccccc3)[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HDAC3 O15379 1/20 0.39
▸ MAPK1 P28482 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
▸ SMN1; SMN2 Q16637 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
▸ NR5A2 O00482 1/20 0.38
▸ PTGFR P43088 4/20 0.38
▸ TBXAS1 P24557 1/20 0.37

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
SCHEMBL9091571 0.85 PTGFR (0.41) HDAC1HDAC2NR5A2PTGFRPTGER1
SCHEMBL9089528 0.85 ALDH1A1 (0.40) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL9090656 0.83 NR5A2 (0.33) MAPTNR5A2FFAR4LMNATSHR
SCHEMBL10976736 0.81 NR5A2 (0.35) NR5A2PTGER2FFAR4
SCHEMBL9087930 0.81 NR5A2 (0.35) NR5A2PTGER2FFAR4
SCHEMBL9086567 0.80 NR5A2 (0.33) NR5A2
SCHEMBL9091252 0.80 NR5A2 (0.33) NR5A2
SCHEMBL9089666 0.80 NR5A2 (0.37) NR5A2
SCHEMBL9090798 0.80 NR5A2 (0.34) NR5A2PTGFRPTGER1PTGER2PTGER3
SCHEMBL9089061 0.80 NR5A2 (0.35) NR5A2PTGER2EPHX1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136779-B1 NEW CARBACYCLIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1988-09-14 — — EP claimed
EP-0136779-A1 New carbacyclin derivatives, processes for their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-04-10 — — EP claimed
US-5489613-A TREATING THROMBOSIS SANKYO COMPANY, LIMITED (JP) 1996-02-06 — — US disclosed
US-5405870-A Platelet-aggregation inhibitors; useful in treatment of thrombosis SANKYO COMPANY, LIMITED (JP) 1995-04-11 — — US disclosed
EP-0136779-A1 New carbacyclin derivatives, processes for their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-04-10 — — EP disclosed
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