SCHEMBL9503913

SCHEMBL9503913

CCCOCCCOCCCOCCCCO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.41
ACHE P22303 6/20 0.38

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
SCHEMBL4402666 1.00 TSHR (0.56) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8813011 0.97 MEN1 (0.60) TSHRMEN1KMT2ATHRBHTT
SCHEMBL6021572 0.97 MEN1 (0.60) TSHRMEN1KMT2ATHRBHTT
SCHEMBL106781 0.97
SCHEMBL2551959 0.97 TSHR (0.59) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2960268 0.97 TSHR (0.59) TSHRMEN1KMT2ATHRBHTT
SCHEMBL3062646 0.97 TSHR (0.59) TSHRMEN1KMT2ATHRBHTT
SCHEMBL4390855 0.95 MEN1 (0.62) TSHRMEN1KMT2ATHRBHTT
SCHEMBL7792032 0.95 MEN1 (0.62) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8956334 0.95 MEN1 (0.62) TSHRMEN1KMT2ATHRBHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed