SCHEMBL9703883

SCHEMBL9703883

COc1ccc2cc(NCc3ccc(OCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 3/20 0.63
BLM P54132 2/20 0.63
TP53 P04637 1/20 0.63
ATM Q13315 1/20 0.63
PPARA Q07869 2/20 0.60
F2 P00734 1/20 0.58
BCHE P06276 3/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MRGPRX1 Q96LB2 1/20 0.55
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
MAOB P27338 2/20 0.52
ALOX5 P09917 1/20 0.51
RAB9A P51151 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
SCHEMBL2636983 0.95 PPARA (0.60) MAPTMEN1KMT2AGAABLM
SCHEMBL9703808 0.85 EGFR (0.59) MAPTMEN1KMT2AGAABCHE
SCHEMBL30437396 0.82 NPC1 (0.65) MAPTMEN1KMT2AGAATP53
SCHEMBL11838896 0.81 MAPT (0.84) MAPTMEN1KMT2AGAABLM
SCHEMBL24124340 0.81 F2 (0.68) MAPTMEN1KMT2AGAABLM
SCHEMBL4095421 0.81 PDGFRB (0.62) MAPTMEN1KMT2AGAABLM
SCHEMBL8082984 0.80 MAPT (0.82) MAPTMEN1KMT2AGAABLM
SCHEMBL1680834 0.79 NPC1 (0.65) MAPTMEN1KMT2AGAABLM
SCHEMBL12310114 0.78 MAPT (0.66) MAPTMEN1KMT2AGAABLM
SCHEMBL24743620 0.78 PPARA (0.69) MAPTMEN1KMT2AGAABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed