SCHEMBL9813593

SCHEMBL9813593

CCCCCCOC(=O)Nc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HPGD P15428 1/20 0.70
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
EPHX1 P07099 1/20 0.53
CNR2 P34972 3/20 0.50
CNR1 P21554 2/20 0.50
LMNA P02545 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL10879439 1.00 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL9813594 0.94 ALDH1A1 (0.74) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL10896175 0.92 SMN1; SMN2 (0.58) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL11135653 0.92 SMN1; SMN2 (0.58) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL10959203 0.89 HPGD (0.78) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL5988783 0.86 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL21861227 0.86 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL7790395 0.86 SMN1; SMN2 (0.65) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL10877594 0.84 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL283472 0.83 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AL3MBTL1

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-0178908-B1 CO-EXTRUSION OF MULTI-COMPONENT ECTOPARASITICIDAL PET COLLARS CONAGRA PET PRODUCTS, INC. (US) 1991-07-31 EP disclosed
US-4803956-A Animal collar for controlling fleas and ticks A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-14 US disclosed
EP-0178908-A2 Co-extrusion of multi-component ectoparasiticidal pet collars CONAGRA PET PRODUCTS, INC. (US) 1986-04-23 EP disclosed
US-4332817-A CARBAMATES WITH ALKANEDIOLS CELANESE CORPORATION (US) 1982-06-01 US disclosed
US-4226881-A ARYL OR HETEROCYCLIC N-ALKYL CARBAMATE, SYNERGISTIC ALKANEDIOL CELANESE CORPORATION (US) 1980-10-07 US disclosed
US-4150109-A DIAZINON, DIAZOXONE, COLLARS DICK PIERRE R G 1979-04-17 US disclosed