SCHEMBL8417435

SCHEMBL8417435

O=C(NC1CCCCC1O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
CHRNA7 P36544 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ROCK2 O75116 1/20 0.44
EPHX1 P07099 3/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SLC18A3 Q16572 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 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
SCHEMBL2383573 0.83 ALDH1A1 (0.61) EPHX1GAAMEN1KMT2AALDH1A1
SCHEMBL4070011 0.82 ALDH1A1 (0.64) EPHX1MEN1KMT2AALDH1A1RAB9A
SCHEMBL4182633 0.82 ALDH1A1 (0.64) EPHX1MEN1KMT2AALDH1A1RAB9A
SCHEMBL4175464 0.82 ALDH1A1 (0.64) EPHX1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8421453 0.82 KMT2A (0.45) MEN1KMT2AALDH1A1RAB9ASLC18A3
SCHEMBL2382987 0.80 EPHX2 (0.53) MGLLROCK2EPHX1GAAALDH1A1
SCHEMBL8418545 0.80 ALDH1A1 (0.65) CHRNA7EPHX1ALDH1A1RAB9A
SCHEMBL31417142 0.78 MAPT (0.53) MGLLROCK2EPHX1GAAKMT2A
SCHEMBL13265814 0.77 MAPT (0.43) MEN1KMT2AALDH1A1RAB9A
SCHEMBL25994 0.75 MGLL (0.47) MGLLROCK2EPHX1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612740-A1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO Inc. (JP) 1994-08-31 EP claimed
EP-0612740-B1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO KK (JP) 1999-09-22 EP disclosed
US-5840977-A CYCLOHEXANOL UREA DERIVATIVE AS INTERMEDIATE FUJIREBIO INC. (JP) 1998-11-24 US disclosed
US-5719298-A REACTING PANTOTHENIC ACID ACETONIDE WITH UREA COMPOUND IN THE PRESENCE OF ACYLATING AGENT FUJIREBIO INC. (JP) 1998-02-17 US disclosed
EP-0612740-A1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO Inc. (JP) 1994-08-31 EP disclosed