SCHEMBL10607135

SCHEMBL10607135

c1ccc(Cc2ccc(OOc3ccc(Cc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 9/20 0.67
▸ CALM1 P0DP23 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ SRD5A2 P31213 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ IDH1 O75874 1/20 0.46

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
SCHEMBL13194009 0.86 LTA4H (0.69) LTA4HCALM1L3MBTL1PPARGPPARA
SCHEMBL246373 0.84 LTA4H (0.67) LTA4HCALM1L3MBTL1PPARGPPARA
SCHEMBL7178244 0.84 LTA4H (0.67) LTA4HCALM1L3MBTL1PPARGPPARA
SCHEMBL972712 0.83 CALM1 (0.92) LTA4HCALM1CYP2C9IDH1
SCHEMBL8094422 0.83 CALM1 (0.92) LTA4HCALM1CYP2C9IDH1
SCHEMBL10269397 0.82 SRD5A2 (0.68) LTA4HCALM1L3MBTL1SRD5A2IDH1
SCHEMBL1912758 0.81 LTA4H (0.71) LTA4HCALM1L3MBTL1CYP1A2CYP2D6
SCHEMBL9356877 0.80 LTA4H (0.61) LTA4HCALM1L3MBTL1PPARGPPARA
SCHEMBL570480 0.80 LTA4H (1.00) LTA4HCALM1L3MBTL1HTT
SCHEMBL2094861 0.80 LTA4H (0.61) LTA4HCALM1L3MBTL1PPARGPPARA

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
EP-0119469-B1 BAG FOR THE STORAGE OF BLOOD Fresenius AG (DE) 1989-10-18 — — EP disclosed
US-4516977-A Storage bag FRESENIUS, AG (DE) 1985-05-14 — — US disclosed
EP-0119469-A2 Bag for the storage of blood Fresenius AG (DE) 1984-09-26 — — EP disclosed
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