SCHEMBL8535104

SCHEMBL8535104

CCCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4c(c3)CCC(C(=O)O)C4)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.53
RARB P10826 7/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
FFAR1 O14842 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8537443 1.00 MCHR1 (0.53) MCHR1RARBMAPTMEN1ALDH1A1
SCHEMBL8535144 1.00 MCHR1 (0.53) MCHR1RARBMAPTMEN1ALDH1A1
SCHEMBL8532647 1.00 MCHR1 (0.53) MCHR1RARBMAPTMEN1ALDH1A1
SCHEMBL8533706 1.00 MCHR1 (0.53) MCHR1RARBMAPTMEN1ALDH1A1
SCHEMBL8532711 1.00 MCHR1 (0.53) MCHR1RARBMAPTMEN1ALDH1A1
SCHEMBL8536045 0.90 MCHR1 (0.54) MCHR1RARBSMN1; SMN2S1PR1S1PR3
SCHEMBL8533608 0.90 MCHR1 (0.54) MCHR1RARBSMN1; SMN2S1PR1S1PR3
SCHEMBL8531556 0.90 MCHR1 (0.54) MCHR1RARBSMN1; SMN2S1PR1S1PR3
SCHEMBL8531861 0.90 MCHR1 (0.54) MCHR1RARBSMN1; SMN2S1PR1S1PR3
SCHEMBL8536706 0.90 MCHR1 (0.54) MCHR1RARBSMN1; SMN2S1PR1S1PR3

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