SCHEMBL9703808

SCHEMBL9703808

COc1ccc2cc(Nc3ccc(OCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59
MAOB P27338 2/20 0.56
ALOX5 P09917 1/20 0.55
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 2/20 0.53
ALOX12 P18054 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
BCHE P06276 2/20 0.51
AR P10275 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
FLT3 P36888 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL866939 0.88 NPC1 (0.60) EGFRERBB2MAOBALDH1A1SMN1; SMN2
SCHEMBL9703883 0.85 MAPT (0.63) MAOBALOX5ALDH1A1SMN1; SMN2MAPT
SCHEMBL11714868 0.81 MEN1 (0.67) EGFRERBB2MAOBALDH1A1SMN1; SMN2
SCHEMBL2636983 0.80 PPARA (0.60) MAOBALOX5ALDH1A1MAPTGAA
SCHEMBL28900204 0.79 RAB9A (0.71) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL30022351 0.79 RAB9A (0.71) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL10833896 0.79 CTSV (0.69) ALDH1A1SMN1; SMN2MAPTALOX12GAA
SCHEMBL8737849 0.79 AR (0.65) EGFRERBB2MAOBALDH1A1SMN1; SMN2
SCHEMBL10937794 0.78 SIRT2 (0.61) EGFRERBB2MAOBALDH1A1SMN1; SMN2
SCHEMBL791985 0.78 MAOB (0.69) MAOBSMN1; SMN2MAPTGAANPC1

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