SCHEMBL9212172

SCHEMBL9212172

CCCCCNC(CCC(C)C)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
EPHX1 P07099 11/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 2/20 0.36
BCHE P06276 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
REN P00797 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL9206047 0.93 BCHE (0.41) NAAAEPHX1TSHREPHX2BCHE
SCHEMBL9204985 0.86 EPHX1 (0.41) NAAAEPHX1TSHREPHX2GNAI3
SCHEMBL9207776 0.86 EPHX1 (0.41) NAAAEPHX1TSHREPHX2GNAI3
SCHEMBL9212423 0.85 EPHX1 (0.44) NAAAEPHX1TSHREPHX2GNAI3
SCHEMBL9213609 0.84 MEN1 (0.39) NAAAEPHX1TSHREPHX2BCHE
Methane SCHEMBL27346182 0.83 BCHE (0.40) NAAAEPHX1TSHREPHX2BCHE
SCHEMBL9213089 0.83 TSHR (0.38) NAAAEPHX1TSHREPHX2
SCHEMBL9205502 0.81 EPHX1 (0.41) NAAAEPHX1TSHREPHX2BCHE
SCHEMBL24219174 0.81 MEN1 (0.39) NAAAEPHX1TSHREPHX2BCHE
SCHEMBL24419465 0.81 EPHX1 (0.42) NAAAEPHX1TSHREPHX2GNAI3

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-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed