SCHEMBL7683676

SCHEMBL7683676

CCCOc1cccc(C(=O)C2CCCCC(=O)N2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
PPARG P37231 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SMPD1 P17405 3/20 0.40
KAT6A Q92794 1/20 0.40
TSHR P16473 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
SCHEMBL7690835 0.86 GAA (0.47) KMT2ALMNAHPGDKDM4EHTT
SCHEMBL7685839 0.85 CES2 (0.47) KMT2ARAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL991131 0.82 MCL1 (0.44) KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7688574 0.81 KMT2A (0.47) KMT2ASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL9621799 0.80 MCL1 (0.43) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6223559 0.77 TP53 (0.44) KMT2ALMNAADRB2ADRB1ADRB3
SCHEMBL27447634 0.77 HSD17B10 (0.55) KMT2ARAB9ASMN1; SMN2LMNAHPGD
SCHEMBL38099 0.76 L3MBTL1 (0.48) KMT2ARAB9ALMNAKDM4EL3MBTL1
SCHEMBL38409 0.75 MCL1 (0.57) KMT2ASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL8014971 0.75 MCL1 (0.57) KMT2ASMN1; SMN2KDM4EHTTL3MBTL1

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
US-6352562-B1 NATURAL RUBBER STABLE TO THIS METHOD OF CLEANING THE PROCTER & GAMBLE CO. 2002-03-05 US disclosed
US-6197737-B1 MIXTURE CONTAINING PEROXYGEN BLEACHES THE PROCTER & GAMBLE COMPANY 2001-03-06 US disclosed
EP-0699189-B1 BLEACHING COMPOUNDS COMPRISING SUBSTITUTED BENZOYL CAPROLACTAM BLEACH ACTIVATORS PROCTER & GAMBLE (US) 1998-07-29 EP disclosed
EP-0699189-A1 BLEACHING COMPOUNDS COMPRISING SUBSTITUTED BENZOYL CAPROLACTAM BLEACH ACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 1996-03-06 EP disclosed
WO-1994027970-A1 BLEACHING COMPOUNDS COMPRISING SUBSTITUTED BENZOYL CAPROLACTAM BLEACH ACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 1994-12-08 WO disclosed