SCHEMBL4311027

SCHEMBL4311027

CCCCCOC(=O)c1cc(COC2CCCCO2)cc(C(=O)O)c1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
EP300 Q09472 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARA Q07869 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL4311026 0.82 CREBBP (0.47) CREBBPMEN1KMT2ATSHRCYP3A4
SCHEMBL4311031 0.80 MEN1 (0.40) CREBBPMEN1KMT2AEP300ADORA3
SCHEMBL4313090 0.77 TSHR (0.49) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1547662 0.77 TSHR (0.51) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL4317064 0.76 TSHR (0.50) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL4456107 0.76 TSHR (0.46) CREBBPMEN1KMT2ATSHRCYP3A4
SCHEMBL4308381 0.76 ALDH1A1 (0.47) CREBBPMEN1KMT2ATSHRCYP3A4
SCHEMBL4312331 0.73 CREBBP (0.52) CREBBPMEN1KMT2ATSHRTP53
Tetrahydrofuran SCHEMBL28198630 0.72 KAT8 (0.53) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL4304334 0.71 CREBBP (0.35) CREBBPMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed