SCHEMBL9702971

SCHEMBL9702971

COc1ccc(Nc2ccc3cc(O)ccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
MAPT P10636 4/20 0.61
NPC1 O15118 4/20 0.61
GAA P10253 4/20 0.61
KDM4E B2RXH2 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MAPK1 P28482 2/20 0.61
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR4A1 P22736 1/20 0.52
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50
VCP P55072 1/20 0.48
ALDH1A1 P00352 3/20 0.47
EGFR P00533 1/20 0.47
LTA4H P09960 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL9703849 0.89 MAPT (0.55) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL30022351 0.85 RAB9A (0.71) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL28900204 0.85 RAB9A (0.71) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL7256133 0.85 MAPT (0.77) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL9702097 0.85 CYP3A4 (0.54) MAPTGAATHRBRECQLNPSR1
SCHEMBL3225688 0.82 CYP3A4 (0.63) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL14300546 0.81 ALDH1A1 (0.68) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL30273062 0.81 ALDH1A1 (0.68) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL28547618 0.79 MAPT (0.61) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL547847 0.78 ABL1 (0.62) RAB9ANPC1KDM4EABL1ABCB1

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