SCHEMBL8564624

SCHEMBL8564624

CCCCc1ccc(Oc2c[c]ccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PPARG P37231 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL920416 0.90 FFAR1 (0.40) LTA4HFFAR1THRBALDH1A1
SCHEMBL922033 0.85 LTA4H (0.41) LTA4HFFAR1
SCHEMBL921443 0.82 LTA4H (0.43) LTA4HS1PR1S1PR3CA1CA2
SCHEMBL5614714 0.81 LTA4H (0.66) LTA4HFFAR1PPARGALDH1A1HPGD
SCHEMBL145761 0.81 LTA4H (0.52) LTA4HS1PR1S1PR3CA1CA2
SCHEMBL920898 0.77 LTA4H (0.63) LTA4HCA1CA2
SCHEMBL4907042 0.77 LTA4H (0.63) LTA4HFFAR1PPARG
SCHEMBL5667215 0.76 LTA4H (0.65) LTA4HFFAR1ALDH1A1HSD17B10
SCHEMBL131741 0.76 LTA4H (0.53) LTA4HCA1CA2ALDH1A1
SCHEMBL16933886 0.76 RARB (0.55) LTA4HS1PR1S1PR3CA1CA2

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0833629-A4 ARYL ACRYLIC ACID DERIVATIVES USEFUL AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS ONTOGEN CORP (US) 1998-09-16 EP disclosed
US-5770620-A ENZYME INHIBITOR AS IMMUNOMODULATORS ONTOGEN CORPORATION (US) 1998-06-23 US disclosed
EP-0833629-A2 ARYL ACRYLIC ACID DERIVATIVES USEFUL AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS ONTOGEN CORPORATION (US) 1998-04-08 EP disclosed
WO-1997008934-A2 ARYL ACRYLIC ACID DERIVATIVES USEFUL AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS ONTOGEN CORPORATION (US) 1997-03-13 WO disclosed