SCHEMBL7549342

SCHEMBL7549342

COC(=O)C(=C1CCCCN1)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PLK1 P53350 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PTGIR P43119 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7549282 0.87 RAB9A (0.42) CES2CES1HPGDALDH1A1NPC1
SCHEMBL7774549 0.86 RAB9A (0.42) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL7541114 0.86 SMN1; SMN2 (0.50) MAPK1HPGDALDH1A1NPC1RAB9A
SCHEMBL15384064 0.86 SMN1; SMN2 (0.50) MAPK1HPGDALDH1A1NPC1RAB9A
SCHEMBL11376984 0.83 ELANE (0.38) CA1CA2MAPK1CES2CES1
SCHEMBL11376982 0.83 ELANE (0.38) CA1CA2MAPK1CES2CES1
SCHEMBL23158687 0.76 TCF4 (0.41) CA1CA2MAPK1CES2CES1
SCHEMBL7774349 0.73 ALDH1A1 (0.45) MAPK1HPGDALDH1A1POLBHSD17B10
SCHEMBL11481778 0.72 ALDH1A1 (0.47) MAPK1HPGDALDH1A1HSD17B10NPC1
SCHEMBL11481776 0.72 ALDH1A1 (0.47) MAPK1HPGDALDH1A1HSD17B10NPC1

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 6 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
EP-0949247-B1 Process for the preparation of piperidinylidene derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-09-12 EP disclosed
US-6008358-A Process for the preparation of piperidinylidene derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-28 US disclosed
EP-0949247-A1 Process for the preparation of piperidinylidene derivatives Takasago International Corporation (JP) 1999-10-13 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