SCHEMBL9683939

SCHEMBL9683939

CC(=O)c1ccc(C(C)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 1/20 0.50
PDCD1 Q15116 1/20 0.50
ESR2 Q92731 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HSD17B1 P14061 1/20 0.48
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL2689539 0.91 ESR1 (0.67) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL10600496 0.91 MAPT (0.57) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL10793732 0.86 NR1H4 (0.53) MAPTRAB9AKMT2ASMN1; SMN2POLB
SCHEMBL8363140 0.86 MAPT (0.68) MAPTHPGDLMNAMAPK1PDCD1
SCHEMBL21935947 0.86 MAPT (0.53) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL182327 0.85 CYP2C9 (0.55) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL2691203 0.84 ELANE (0.53) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL1262317 0.83 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL5197216 0.83 CYP2C9 (0.53) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL17319344 0.83 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751127-A Preparation method of 4,4' -diamino bibenzyl 广西茵诺圣药业有限公司 2023-09-15 CN disclosed
EP-0465738-A2 Process for producing tetraepoxy resins, epoxy resin compositions, tetraepoxy resins and tetrahydric phenol compounds DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-01-15 EP disclosed