SCHEMBL5872353

SCHEMBL5872353

CCCCCCCCCC1CCC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 3/20 0.46
S1PR2 O95136 2/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 2/20 0.42
HLCS P50747 2/20 0.41
CNR1 P21554 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
EPHX1 P07099 1/20 0.37
ALOX5 P09917 2/20 0.37
CRBN Q96SW2 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL5175881 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL22190342 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL8051534 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL22201153 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL9646435 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL11621397 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL3503763 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL6439316 0.92 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL22201155 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4
SCHEMBL22201158 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991744-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-01-31 US disclosed
US-6962665-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-08 US disclosed
US-4075320-A Attractant for ants NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TEN BEHOEVE VAN NIJVERHEID, HANDEL EN VERKEER (NL) 1978-02-21 US disclosed