SCHEMBL8418545

SCHEMBL8418545

O=C(NC1CCCCC1O)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
RAB9A P51151 1/20 0.65
FAAH O00519 2/20 0.51
LHCGR P22888 1/20 0.50
CHRNA7 P36544 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL6521639 0.90 ALDH1A1 (0.73) ALDH1A1RAB9AFAAHLHCGRCHRNA7
SCHEMBL6521637 0.90 ALDH1A1 (0.73) ALDH1A1RAB9AFAAHLHCGRCHRNA7
SCHEMBL6512301 0.86 ALDH1A1 (0.67) ALDH1A1RAB9AFAAHLHCGRCHRNA7
SCHEMBL6557182 0.86 ALDH1A1 (0.67) ALDH1A1RAB9AFAAHLHCGRCHRNA7
SCHEMBL8417435 0.80 MGLL (0.46) ALDH1A1RAB9ACHRNA7EPHX1
SCHEMBL5115600 0.80 ALDH1A1 (0.97) ALDH1A1RAB9AFAAHLHCGREPHX1
SCHEMBL20627345 0.80 LMNA (0.48) ALDH1A1RAB9AFAAHLHCGRCHRNA7
SCHEMBL8393776 0.79 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHLHCGREPHX1
SCHEMBL21618461 0.79 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHLHCGREPHX1
SCHEMBL1532563 0.79 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHLHCGREPHX1

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