SCHEMBL7547525

SCHEMBL7547525

CC(C)(C)OC(=O)C(=C1CCCCN1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 2/20 0.32
F2 P00734 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL7541114 0.85 SMN1; SMN2 (0.50) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL15384064 0.85 SMN1; SMN2 (0.50) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL7540214 0.81 SMN1; SMN2 (0.47) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL1144315 0.79 RAB9A (0.56) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL7543674 0.77 RAB9A (0.54) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL11375371 0.76 TSHR (0.42) NPC1RAB9ASMN1; SMN2KMT2ATSHR
SCHEMBL7549282 0.72 RAB9A (0.42) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL7549342 0.71 CA1 (0.42) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL7774549 0.71 RAB9A (0.42) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL5764963 0.69 NPC1 (0.54) NPC1RAB9AHPGDSMN1; SMN2KMT2A

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-0860432-B1 2-Phenyl-2-(2'-piperidinylidene) acetate derivative, process for manufacturing the same, and process for manufacturing optically active 2-phenyl-2(2'-piperidinyl) acetate derivative by asymmetrically hydrogenating the same TAKASAGO PERFUMERY CO LTD (JP) 2002-06-05 EP disclosed
US-5859249-A CYCLIZATION A 7-(N-SUBSTITUTED AMINO)-3-OXO-2-PHENYLHEPTANOATE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-01-12 US disclosed
EP-0860432-A1 2-Phenyl-2-(2'-piperidinylidene) acetate derivative, process for manufacturing the same, and process for manufacturing optically active 2-phenyl-2(2'-piperidinyl) acetate derivative by asymmetrically hydrogenating the same Takasago International Corporation (JP) 1998-08-26 EP disclosed