SCHEMBL6958752

SCHEMBL6958752

CCC(=O)N(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2C P18825 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8619637 0.86 ALDH1A1 (0.52) ALDH1A1CES2CES1GLATSHR
SCHEMBL10937900 0.82 L3MBTL1 (0.53) ALDH1A1HPGDCES2CES1TSHR
SCHEMBL11282246 0.81 ADRA2C (0.51) ALDH1A1HPGDTSHRADRA2CL3MBTL1
Hydrochloric Acid SCHEMBL11688433 0.81 ALDH1A1 (0.47) ALDH1A1CES2CES1GLATSHR
SCHEMBL6256779 0.80 CES2 (0.54) CES2CES1L3MBTL1TP53MAPT
SCHEMBL11688425 0.79 ALDH1A1 (0.46) ALDH1A1GLATSHRSMN1; SMN2TP53
SCHEMBL4488273 0.79 ALDH1A1 (0.52) ALDH1A1HPGDCES2CES1L3MBTL1
SCHEMBL3874067 0.79 HPGD (0.52) ALDH1A1HPGDCES2CES1L3MBTL1
SCHEMBL27258081 0.79 RAB9A (0.47) ALDH1A1HPGDCES2CES1TSHR
SCHEMBL27685166 0.78 L3MBTL1 (0.50) ALDH1A1HPGDCES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US claimed
CN-101460494-A Process for production of 4-substituted azetidinone derivatives KANEGAFUCHI CHEMICAL IND (JP) 2009-06-17 CN disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP disclosed
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US disclosed
EP-0974582-A1 Process for the preparation of 4-substituted azetidinone derivatives Takasago International Corporation (JP) 2000-01-26 EP disclosed