SCHEMBL7778091

SCHEMBL7778091

CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.55
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FASN P49327 1/20 0.40
▸ FAAH O00519 1/20 0.39

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
SCHEMBL7778092 1.00 MGLL (0.55) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL29280302 0.90 MGLL (0.60) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL30452939 0.85 MGLL (0.58) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL11491821 0.84 CNR1 (0.45) ALDH1A1CNR1CNR2KDM4EFASN
SCHEMBL11325175 0.84 CNR1 (0.45) ALDH1A1CNR1CNR2KDM4EFASN
SCHEMBL11483113 0.82 ZDHHC2 (0.56) CNR1CNR2KDM4EFASNFAAH
SCHEMBL11491365 0.82 ZDHHC2 (0.56) CNR1CNR2KDM4EFASNFAAH
SCHEMBL11483550 0.82 ZDHHC2 (0.56) CNR1CNR2KDM4EFASNFAAH
SCHEMBL11761443 0.81 BCL9 (0.67) MGLLBCL9CTNNB1ALDH1A1CNR1
SCHEMBL13164410 0.81 BCL9 (0.67) MGLLBCL9CTNNB1ALDH1A1CNR1

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
EP-1130100-A1 Modified lipolytic enzymes and their use UNILEVER N.V. (NL) 2001-09-05 — — EP disclosed
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