SCHEMBL8536708

SCHEMBL8536708

CCCCCC[C@H](C)Oc1ccc(-c2ccc(C(=O)Oc3ccc4c(c3)CCC(C(=O)O)C4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.50
FFAR1 O14842 1/20 0.38
TAOK3 Q9H2K8 2/20 0.36
RARB P10826 3/20 0.35
ACHE P22303 2/20 0.35
TAOK1 Q7L7X3 1/20 0.35
FAAH O00519 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34

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
SCHEMBL8537453 0.88 MCHR1 (0.49) MCHR1FFAR1TAOK3RARBACHE
SCHEMBL8534106 0.88 MCHR1 (0.41) MCHR1FFAR1TAOK3FAAHS1PR1
SCHEMBL8536045 0.86 MCHR1 (0.54) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8531861 0.86 MCHR1 (0.54) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8531556 0.86 MCHR1 (0.54) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8533608 0.86 MCHR1 (0.54) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8536706 0.86 MCHR1 (0.54) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8533685 0.86 MCHR1 (0.54) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8537443 0.85 MCHR1 (0.53) MCHR1FFAR1RARBS1PR1S1PR3
SCHEMBL8535104 0.85 MCHR1 (0.53) MCHR1FFAR1RARBS1PR1S1PR3

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-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed