SCHEMBL9820564

SCHEMBL9820564

CCCCCCC1C[N]CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 3/20 0.39
TDP1 Q9NUW8 1/20 0.34
SPHK1 Q9NYA1 4/20 0.34
SPHK2 Q9NRA0 3/20 0.34
RAD52 P43351 1/20 0.33
PPARG P37231 1/20 0.32
GRM2 Q14416 5/20 0.31
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31

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
SCHEMBL4556954 0.98 EPHX1 (0.57) EPHX1ALDH1A1CYP1A2TDP1SPHK1
SCHEMBL9820594 0.92 EPHX1 (0.48) EPHX1ALDH1A1CYP1A2
SCHEMBL540949 0.84
SCHEMBL7509604 0.81 SIGMAR1 (0.40) EPHX1ALDH1A1
SCHEMBL9432642 0.77 EPHX1 (0.35) EPHX1ALDH1A1
SCHEMBL3897217 0.77 EPHX1 (0.31) EPHX1
SCHEMBL25304106 0.76 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1SPHK1
SCHEMBL11122975 0.76 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1SPHK1
SCHEMBL25303980 0.76 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1SPHK1
SCHEMBL2731115 0.76 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1SPHK1

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
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed