SCHEMBL27640951

SCHEMBL27640951

COC(=O)C(C)c1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
LTA4H P09960 1/20 0.50
GPR88 Q9GZN0 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL6266373 0.86 LTA4H (0.59) LTA4HNPC1RAB9A
SCHEMBL15522602 0.82 ALDH1A1 (0.49) KMT2ANPC1RAB9A
SCHEMBL490533 0.82 NPC1 (0.52) GPR88MEN1KMT2ANPC1RAB9A
SCHEMBL4841700 0.81 L3MBTL1 (0.69) MEN1KMT2ANPC1
SCHEMBL254946 0.81 MAPK1 (0.58) GPR88
SCHEMBL13140571 0.79 FFAR1 (0.67) FFAR1LTA4HNPC1RAB9A
SCHEMBL9076068 0.79 FFAR1 (0.56) FFAR1LTA4HMEN1KMT2ANPC1
SCHEMBL27871430 0.79 FFAR1 (0.48) FFAR1LTA4HMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL4833437 0.78 GPR88 (0.43) GPR88MEN1KMT2A
SCHEMBL5319202 0.78 GPR88 (0.58) GPR88

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed