SCHEMBL8638416

SCHEMBL8638416

C=Cc1ccc(C(C(=O)O)C2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1E P28566 3/20 0.48
▸ S1PR3 Q99500 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX5 P09917 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CHRM3 P20309 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL4242909 0.80 ALOX5 (0.49) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL69127 0.79 HTR1E (0.65) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL28622389 0.79 HTR1E (0.65) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL8634261 0.79 CHRM3 (0.50) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL8634253 0.79 CHRM3 (0.50) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL1177709 0.78 HTR1E (0.60) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL1177706 0.78 HTR1E (0.60) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL1565063 0.78 HTR1E (0.47) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL1564941 0.78 HTR1E (0.47) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL17846888 0.78 HTR1E (0.47) HTR1ES1PR3MEN1LMNAKMT2A

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-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US disclosed
US-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 — — US disclosed
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