SCHEMBL9468424

SCHEMBL9468424

CCOC(=O)c1ccc(C(=O)c2ccc(CCN)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAOA P21397 1/20 0.62
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
STS P08842 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
HTT P42858 4/20 0.47
HPGD P15428 3/20 0.47

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
SCHEMBL5734417 0.95 LMNA (0.68) LMNACYP1A2CYP3A4MAOACA1
Hydrochloric Acid SCHEMBL9261439 0.93 LMNA (0.66) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL9468200 0.90 LMNA (0.62) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL9467808 0.90 CYP1A2 (0.62) LMNACYP1A2CYP3A4MAOACA1
Hydrochloric Acid SCHEMBL9467833 0.89 CYP1A2 (0.60) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL28280215 0.85 LMNA (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL12199135 0.84 CA1 (0.68) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL6788089 0.84 CA1 (0.73) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL9798900 0.84 LMNA (0.57) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL6323309 0.83 LMNA (0.89) LMNACYP1A2CYP3A4MAOACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232946-A Promoting weight gain and reduction of blood sugar and fat deposits in animals, feed efficiency DR. KARL THOMAE GMBH (DE) 1993-08-03 US disclosed