SCHEMBL8416892

SCHEMBL8416892

CCCCCCCCC(N)CC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
OPRM1 P35372 1/20 0.46
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
SPHK1 Q9NYA1 2/20 0.43
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL27106201 0.91 ALDH1A1 (0.41) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL30401653 0.82 OPRM1 (0.43) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL8995139 0.82 OPRM1 (0.46) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL20763835 0.80 S1PR2 (0.48) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL23141152 0.80 PLA2G1B (0.62) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL20746505 0.80 PLA2G1B (0.62) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL20746426 0.80 PLA2G1B (0.62) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL20746344 0.80 PLA2G1B (0.62) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL10447807 0.80 PLA2G1B (0.62) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL8980680 0.80 PLA2G1B (0.62) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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