SCHEMBL11577173

SCHEMBL11577173

CCCOc1ccc(C(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.61
LMNA P02545 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 2/20 0.60
STS P08842 3/20 0.59
MAPT P10636 3/20 0.56
CYP19A1 P11511 1/20 0.55
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
BLM P54132 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MEN1 O00255 1/20 0.52
GAA P10253 2/20 0.51

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
SCHEMBL11578212 0.88 MAPK1 (0.68) MTNR1BLMNAL3MBTL1MAPK1KMT2A
SCHEMBL6427017 0.86 MAPT (0.62) MTNR1BLMNAL3MBTL1MAPK1KMT2A
SCHEMBL27913517 0.86 KMT2A (0.78) LMNAL3MBTL1MAPK1KMT2AMAPT
SCHEMBL11696519 0.85 KMT2A (0.77) LMNAL3MBTL1MAPK1KMT2ASTS
SCHEMBL2303699 0.85 STS (0.72) MTNR1BLMNAMAPK1KMT2ASTS
SCHEMBL21567532 0.84 HRH2 (0.61) LMNAL3MBTL1MAPK1KMT2AMAPT
SCHEMBL50488 0.83 GAA (0.72) LMNAL3MBTL1MAPK1KMT2AMAPT
SCHEMBL6341040 0.83 L3MBTL1 (0.68) LMNAL3MBTL1MAPK1KMT2AMAPT
SCHEMBL15473278 0.82 L3MBTL1 (0.56) LMNAL3MBTL1MAPK1KMT2AMAPT
SCHEMBL20496452 0.82 L3MBTL1 (0.58) LMNAL3MBTL1MAPK1KMT2AMAPT

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
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed