SCHEMBL9369149

SCHEMBL9369149

CC(C)Cc1cccc(OCc2cccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.45
FFAR1 O14842 3/20 0.42
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MCL1 Q07820 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
HTR6 P50406 2/20 0.39
MAOB P27338 1/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL9538300 0.93 FFAR1 (0.46) OXER1FFAR1FFAR4MRGPRX4SRD5A1
SCHEMBL9538924 0.91 OXER1 (0.46) OXER1FFAR1MCL1FFAR4MRGPRX4
SCHEMBL9538976 0.90 PPARD (0.41) FFAR1MRGPRX4HTR6MAOBHTR1A
SCHEMBL9541818 0.90 MCL1 (0.42) FFAR1MCL1MRGPRX4MAOBPTGER1
SCHEMBL9539906 0.88 PTGER1 (0.46) OXER1MCL1FFAR4MRGPRX4HTR6
SCHEMBL9369287 0.87 FFAR1 (0.45) OXER1FFAR1FFAR4MRGPRX4
SCHEMBL9376615 0.87 MRGPRX4 (0.53) OXER1FFAR1FFAR4MRGPRX4MAOB
SCHEMBL9368734 0.86 MCL1 (0.40) OXER1FFAR1CYSLTR2CYSLTR1MCL1
SCHEMBL9369456 0.86 OXER1 (0.49) OXER1HTR6SRD5A1SRD5A2HTR1A
SCHEMBL9369752 0.85 OXER1 (0.47) OXER1HTR6SRD5A1SRD5A2HTR1A

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
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed