SCHEMBL9335986

SCHEMBL9335986

COC(=O)c1ccc(OCC(C)CNc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 4/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL9335724 0.90 NR4A2 (0.51) RAB9AMAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL10950578 0.87 MAPT (0.61) RAB9ANPC1MAPTGAATSHR
SCHEMBL9339326 0.87 MAPT (0.57) RAB9ANPC1MAPTGAATSHR
SCHEMBL9339195 0.85 RAB9A (0.50) RAB9ANPC1MAPTGAATSHR
SCHEMBL9339257 0.81 RAB9A (0.51) RAB9ANPC1MAPTGAATSHR
SCHEMBL10951141 0.81 GAA (0.63) RAB9ANPC1MAPTGAATSHR
SCHEMBL9335517 0.80 MAPT (0.62) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL9339054 0.80 GAA (0.53) RAB9ANPC1MAPTGAATSHR
SCHEMBL9337330 0.79 MAPT (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9337253 0.78 MAPT (0.59) RAB9ANPC1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394440-B1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1994-05-11 EP disclosed
US-4999378-A Antilipemic, anticholesterol, antidiabetic, treatment of atherosclerosis and obesity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-03-12 US disclosed
EP-0394440-A1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed