SCHEMBL8812726

SCHEMBL8812726

COc1cc(-c2ccc3ccccc3c2CNCC=O)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ CTSD P07339 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 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
SCHEMBL8815000 0.78 KDM4E (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8815136 0.77 KDM4E (0.47) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL27918824 0.72 CYP1A1 (0.49) KMT2AMEN1CYP1A1CYP1B1PTGES
SCHEMBL28805636 0.71 PTGES (0.51) KMT2AMEN1CYP1A1CYP1B1PTGES
SCHEMBL27918823 0.71 PTGES (0.50) KMT2AMEN1CYP1A1CYP1B1PTGES
SCHEMBL3131983 0.67 MAPT (0.53) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL13973473 0.66 KMT2A (0.66) KMT2AMEN1POLBSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8812749 0.65 MEN1 (0.40) KMT2AMEN1CTSDMAPTKDM4E
SCHEMBL2690193 0.65 KMT2A (0.53) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL11804252 0.64 ERN1 (0.57) KMT2AMEN1MAPTALDH1A1BRD4

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-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 — — US disclosed
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