SCHEMBL9702536

SCHEMBL9702536

CSc1ccc2cc(Nc3ccc(O)cc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
RECQL P46063 2/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
TSHR P16473 2/20 0.42
SNCA P37840 2/20 0.41
APP P05067 1/20 0.41
KDM1A O60341 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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 0.81 CYP3A4 (0.54) CYP3A4ALDH1A1ALOX15HIF1ATDP1
SCHEMBL28458579 0.80 ALDH1A1 (0.66) CYP3A4ALDH1A1HIF1ATHRBMEN1
SCHEMBL9702114 0.78 CYP3A4 (0.67) CYP3A4ALOX15HIF1ATDP1HSD17B10
SCHEMBL593005 0.77 ALDH1A1 (0.73) CYP3A4ALDH1A1ALOX15HIF1ATDP1
SCHEMBL30575395 0.77 ALDH1A1 (0.73) CYP3A4ALDH1A1ALOX15HIF1ATDP1
SCHEMBL9703849 0.75 MAPT (0.55) CYP3A4ALDH1A1ALOX15HIF1ATDP1
SCHEMBL9703877 0.74 ALDH1A1 (0.47) CYP3A4ALDH1A1ALOX15HIF1ATDP1
SCHEMBL9703852 0.74 ALDH1A1 (0.49) CYP3A4ALDH1A1ALOX15HIF1ATDP1
SCHEMBL10419897 0.74 ALDH1A1 (0.53) CYP3A4ALDH1A1ALOX15HIF1ATDP1
Hydroquinone SCHEMBL11583598 0.74 ALDH1A1 (0.81) CYP3A4ALDH1A1ALOX15HIF1ATDP1

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 7 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
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US 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