SCHEMBL9205502

SCHEMBL9205502

CCCCCCCC(NCCCC)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.41
EPHX2 P34913 2/20 0.41
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL9213089 0.98 TSHR (0.38) EPHX1EPHX2TSHRNAAAMEN1
SCHEMBL9212423 0.97 EPHX1 (0.44) EPHX1EPHX2TSHRNAAASIGMAR1
SCHEMBL9213609 0.96 MEN1 (0.39) EPHX1EPHX2TSHRNAAAMEN1
SCHEMBL9207776 0.95 EPHX1 (0.41) EPHX1EPHX2TSHRNAAA
SCHEMBL9204985 0.95 EPHX1 (0.41) EPHX1EPHX2TSHRNAAA
SCHEMBL9206051 0.93 EPHX1 (0.41) EPHX1EPHX2TSHRNAAASIGMAR1
SCHEMBL11304162 0.93 EPHX1 (0.41) EPHX1EPHX2TSHRNAAASIGMAR1
SCHEMBL24219174 0.89 MEN1 (0.39) EPHX1EPHX2TSHRNAAAMEN1
SCHEMBL9206047 0.85 BCHE (0.41) EPHX1EPHX2TSHRNAAAMEN1
SCHEMBL23612403 0.84 SHBG (0.43) EPHX1EPHX2TSHRNAAASIGMAR1

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