SCHEMBL9703877

SCHEMBL9703877

Oc1ccc(Nc2ccc3cc(I)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 2/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SNCA P37840 2/20 0.41
APP P05067 3/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9702097 0.84 CYP3A4 (0.54) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL27878567 0.81 SPHK2 (0.53) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL30575395 0.80 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL593005 0.80 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL32665149 0.78 CYP3A4 (0.53) ALDH1A1CYP3A4HPGDHSD17B10RECQL
Hydroquinone SCHEMBL11583598 0.77 ALDH1A1 (0.81) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL10419897 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL9703852 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDHSD17B10RECQL
SCHEMBL1202866 0.77 CYP1A2 (0.56) CYP3A4HSD17B10ALOX15HIF1ATDP1
SCHEMBL9703849 0.74 MAPT (0.55) ALDH1A1CYP3A4RECQLTHRBALOX15

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