SCHEMBL9205231

SCHEMBL9205231

CCCCCCCCCCCCCC[C]1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL19876795 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL5472185 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL28921006 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL8627841 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL7739138 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL5468812 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL6402172 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL1812198 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL7738023 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1
SCHEMBL7761576 1.00 MEN1 (0.42) MEN1KMT2ATSHRTHRBESR1

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