SCHEMBL9213461

SCHEMBL9213461

CCCCCCCNC(C)CC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ADH4 P08319 2/20 0.35
ADH7 P40394 2/20 0.35
MMP8 P22894 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 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
SCHEMBL23995930 0.84 SIGMAR1 (0.31) SIGMAR1
SCHEMBL15418241 0.83 MMP8 (0.43) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL19205925 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL21808586 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL7770667 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL25122655 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL20317563 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL24508589 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL7775120 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C
SCHEMBL19963745 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRADH1BADH1C

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