Sugi Predict

Sugi Predict / Compounds / SCHEMBL9213609

SCHEMBL9213609

SCHEMBL9213609

CCCCCC(NCCCC)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EPHX1 P07099 9/20 0.37
▸ TSHR P16473 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ NAAA Q02083 1/20 0.34

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) MEN1KMT2AEPHX1TSHREPHX2
SCHEMBL9205502 0.96 EPHX1 (0.41) MEN1KMT2AEPHX1TSHREPHX2
SCHEMBL9204985 0.95 EPHX1 (0.41) EPHX1TSHREPHX2NAAA
SCHEMBL9207776 0.95 EPHX1 (0.41) EPHX1TSHREPHX2NAAA
SCHEMBL9212423 0.93 EPHX1 (0.44) EPHX1TSHREPHX2NAAA
SCHEMBL9206051 0.89 EPHX1 (0.41) EPHX1TSHREPHX2NAAA
SCHEMBL11304162 0.89 EPHX1 (0.41) EPHX1TSHREPHX2NAAA
SCHEMBL24219174 0.89 MEN1 (0.39) MEN1KMT2AEPHX1TSHREPHX2
SCHEMBL9212172 0.84 NAAA (0.38) EPHX1TSHREPHX2BCHENAAA
SCHEMBL9206047 0.84 BCHE (0.41) MEN1KMT2AEPHX1TSHREPHX2

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