SCHEMBL9702074

SCHEMBL9702074

COc1ccc2cc(N(C)c3ccc(O)cc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
TTR P02766 2/20 0.46
ALOX5 P09917 2/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
BCR P11274 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NQO2 P16083 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL17602128 0.85 ESR2 (0.61) ABL1ABCB1BCRNPC1GAA
SCHEMBL17602315 0.83 MTNR1A (0.62) ABL1ABCB1BCRMEN1MAPT
SCHEMBL12048751 0.79 CYP1A2 (0.59) NPC1NQO2RAB9ACYP1A2CYP2A6
SCHEMBL9703005 0.78 MEN1 (0.46) PTGS2KDM4EMEN1NPC1MAPT
SCHEMBL10418367 0.77 CYP1A2 (0.41) MEN1KMT2ACYP1A2CYP2A6LTA4H
SCHEMBL9703889 0.77 MAOB (0.55) ALOX5PTGS2MEN1PTGS1KMT2A
SCHEMBL29869048 0.77 ABL1 (0.62) CYP1A1CYP1B1PTGS2KDM4EABL1
SCHEMBL31554258 0.77 ABL1 (0.62) CYP1A1CYP1B1PTGS2KDM4EABL1
SCHEMBL547847 0.77 ABL1 (0.62) CYP1A1CYP1B1PTGS2KDM4EABL1
SCHEMBL9290859 0.77 XDH (0.46) CYP1A1CYP1B1MEN1MAPTMAPK1

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 6 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 claimed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP claimed
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