SCHEMBL6909358

SCHEMBL6909358

O=C(O)C=CCN(C(=O)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
ADRA2C P18825 1/20 0.43
ESR1 P03372 5/20 0.42
ESR2 Q92731 3/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH2 P05091 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSPD1 P10809 1/20 0.40
CYP19A1 P11511 1/20 0.40
F3 P13726 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HSPE1 P61604 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL6909361 0.87 MEN1 (0.47) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL7927019 0.85 MEN1 (0.48) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL6909155 0.79 TSHR (0.45) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL28637636 0.79 TSHR (0.70) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL6911488 0.78 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL9716677 0.76 ADRA2C (0.53) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL6908305 0.75 KDM4E (0.47) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL9509046 0.74 TSHR (0.73) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL7751622 0.73 ADRA2C (0.56) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL8959907 0.72 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPTPOLB

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
US-6699830-B1 CROSSLINKED PRODUCT OF COPOLYMER COMPRISING POLYMERIZED UNITS OF UNSATURATED MONOCARBOXYLIC ACID MONOMER AND QUINONE; ABSORBENT RESIN IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1086959-A1 CROSSLINKED COPOLYMER OF UNSATURATED CARBOXYLIC ACID AND PROCESS FOR PRODUCING THE SAME, COPOLYMER OF UNSATURATED CARBOXYLIC ACID, BIODEGRADABLE BUILDER, AND DETERGENT COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-28 EP disclosed