SCHEMBL7247644

SCHEMBL7247644

CCOC(=O)CC(c1cccc(OC)c1)C(C#N)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ROCK2 O75116 1/20 0.42
AOC3 Q16853 1/20 0.40
MTNR1B P49286 4/20 0.39
MTNR1A P48039 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 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
SCHEMBL2179422 0.89 L3MBTL1 (0.49) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL19972267 0.85 ALOX15 (0.45) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7247968 0.84 SMN1; SMN2 (0.54) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL1369506 0.83 KMT2A (0.55) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL622042 0.79 L3MBTL1 (0.50) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL19972236 0.79 SMN1; SMN2 (0.40) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL4115797 0.77 L3MBTL1 (0.52) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL8770878 0.77 L3MBTL1 (0.68) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL6576846 0.77 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL13724830 0.76 L3MBTL1 (0.55) L3MBTL1MAPK1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435572-A FROM 3-METHOXYBENZALDEHYDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-03-06 US claimed
US-6590102-B1 Hydrogenation of 2-cyano-3-(p-fluorophenyl)glutaric acid diethyl ester in the presence of catalysts to prepare isomer mixtures of ethyl 4-(p-fluorophenyl)-6-oxo-3-piperidine -carboxylate, used as intermediates of paroxetine ASAHI GLASS COMPANY LTD. (JP) 2003-07-08 US disclosed
US-6476228-B1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 2002-11-05 US disclosed
EP-0802185-B1 Process for producing piperidinecarbinols ASAHI GLASS CO LTD (JP) 2001-10-17 EP disclosed
US-6197960-B1 REDUCTION OF CYANOGLUTARIC ACID; CYCLIZATION, ISOMERIZATION ASAHI GLASS COMPANY LTD. (JP) 2001-03-06 US disclosed
EP-0802185-A1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 1997-10-22 EP disclosed
US-4435572-A FROM 3-METHOXYBENZALDEHYDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-03-06 US disclosed
US-4346224-A MORPHINE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-08-24 US disclosed
US-4289882-A MORPHINE ANALOG ANALGESICS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1981-09-15 US disclosed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 US disclosed