SCHEMBL11041433

SCHEMBL11041433

[CH2]CCC(=O)c1ccc(CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
PLK1 P53350 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSD17B3 P37058 3/20 0.47
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL30089549 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL27818298 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL27447196 0.83 HSD17B3 (0.67) ALDH1A1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL5270771 0.83 HSD17B3 (0.67) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL27352122 0.82 THRA (0.62) ALDH1A1MEN1KMT2APLK1HPGD
SCHEMBL10017467 0.82 L3MBTL1 (0.59) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL5866548 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL10792717 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL11705272 0.80 THRA (0.65) ALDH1A1MEN1KMT2AATMPLK1
SCHEMBL5081078 0.80 L3MBTL1 (0.73) ALDH1A1MEN1KMT2AATMPLK1

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
CN-1040876-C New derivatives of erythromycin, their preparation process, their use as medicaments ROUSSEL UCLAF (FR) 1998-11-25 CN disclosed
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 CN disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4141893-A Decahydrocyclopent[c]azepines ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed