SCHEMBL9703849

SCHEMBL9703849

COc1ccc2cc(Nc3ccc(O)cc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 2/20 0.55
THRB P10828 2/20 0.55
RECQL P46063 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
VCP P55072 1/20 0.48
NR4A1 P22736 1/20 0.47
AURKA O14965 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
LTA4H P09960 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 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
SCHEMBL9702971 0.89 RAB9A (0.61) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL28900204 0.89 RAB9A (0.71) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL30022351 0.89 RAB9A (0.71) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL7256133 0.85 MAPT (0.77) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL10405839 0.82 MTNR1B (0.67) MAPTNPC1RAB9AGAAMAPK1
SCHEMBL9702097 0.81 CYP3A4 (0.54) MAPTGAATHRBRECQLTDP1
SCHEMBL9702117 0.79 LTA4H (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL547847 0.78 ABL1 (0.62) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL29869048 0.78 ABL1 (0.62) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL31554258 0.78 ABL1 (0.62) KDM4ENPC1RAB9ACYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US 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