SCHEMBL9702101

SCHEMBL9702101

COc1ccc2cc(CNc3ccc(O)cc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
GAA P10253 6/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
BLM P54132 4/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
CASP1 P29466 2/20 0.53
HSD17B10 Q99714 2/20 0.53
THRB P10828 2/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PLEC Q15149 1/20 0.53
APAF1 O14727 1/20 0.53

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
SCHEMBL28964166 0.86 MAPT (0.59) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL30301281 0.86 MAPT (0.59) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL5863587 0.85 MAPT (0.70) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL28846873 0.85 MAPT (0.70) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL9702583 0.85 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL9702060 0.84 MAPT (0.58) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL24690514 0.81 MAPT (0.64) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL13636688 0.81 MAPT (0.65) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL9702743 0.81 INSR (0.67) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL9702551 0.78 MAPT (0.50) MAPTGAAALDH1A1KDM4ETDP1

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
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
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