SCHEMBL8779015

SCHEMBL8779015

CC(O)CCN(CCCC#N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
MAOB P27338 1/20 0.37
RORC P51449 2/20 0.37
ACHE P22303 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL27463102 0.87 OPRK1 (0.49) HDAC1OPRM1OPRD1OPRK1
SCHEMBL7877735 0.86 ALDH1A1 (0.48) POLBGAABCHEALDH1A1HDAC3
SCHEMBL16653971 0.86 OPRK1 (0.45) POLBALDH1A1RORCOPRM1OPRD1
SCHEMBL10962715 0.83 POLB (0.47) POLBGAABCHEALDH1A1HDAC3
SCHEMBL154270 0.83 ALDH1A1 (0.48) POLBGAABCHEALDH1A1HDAC3
SCHEMBL17508109 0.81 ALDH1A1 (0.47) POLBGAABCHEALDH1A1HDAC3
Hydrochloric Acid SCHEMBL11203276 0.81 ALDH1A1 (0.47) POLBGAABCHEALDH1A1HDAC3
SCHEMBL154265 0.80 KCNH2 (0.51) BCHEMAOBACHEOPRM1
SCHEMBL2228449 0.80 HTT (0.49) POLBGAAALDH1A1ACHEOPRM1
SCHEMBL8398911 0.80 MBTD1 (0.40) POLBBCHEALDH1A1HDAC3HDAC1

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
EP-0669316-B1 Analogs of 15-deoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER IND & SANTE (FR) 1997-07-30 EP disclosed
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed
EP-0669316-A1 Analogs of 15-déoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER INDUSTRIE ET SANTE (FR) 1995-08-30 EP disclosed