SCHEMBL8006830

SCHEMBL8006830

COC(=O)CNC(=O)C=Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
CYP2C19 P33261 1/20 0.73
KMT2A Q03164 2/20 0.61
MMP1 P03956 4/20 0.59
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
EGFR P00533 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 2/20 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
SCHEMBL8006827 1.00 CYP1A2 (0.73) CYP1A2CYP2C19KMT2AMMP1MMP2
SCHEMBL8099020 0.84 KMT2A (0.71) CYP1A2KMT2AMMP1MMP2MMP9
SCHEMBL8099023 0.84 KMT2A (0.71) CYP1A2KMT2AMMP1MMP2MMP9
SCHEMBL9551623 0.84 CYP1A2 (0.74) CYP1A2CYP2C19KMT2ARAB9ANPC1
SCHEMBL9551624 0.84 CYP1A2 (0.74) CYP1A2CYP2C19KMT2ARAB9ANPC1
SCHEMBL7660641 0.84 PLAAT5 (0.58) CYP1A2CYP2C19KMT2AMMP1MMP2
Cinnamoylglycine SCHEMBL1558163 0.83 KMT2A (0.69) KMT2AMMP1MMP2MMP9ALDH1A1
Cinnamoylglycine SCHEMBL1558162 0.83 KMT2A (0.69) KMT2AMMP1MMP2MMP9ALDH1A1
SCHEMBL15548924 0.83 CYP1A2 (0.67) CYP1A2CYP2C19KMT2AMMP1MMP2
SCHEMBL15548925 0.83 CYP1A2 (0.67) CYP1A2CYP2C19KMT2AMMP1MMP2

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
WO-2015082380-A1 DEODORANT COMPOSITIONS COMPRISING HYDROPHILIC CINNAMIC ACID DERIVATIVES UNILEVER PLC (GB) 2015-06-11 WO disclosed
US-6107410-A Cinnamic acid derivative SEIKAGAKU CORPORATION (JP) 2000-08-22 US disclosed
US-6025444-A HYALURONIC ACID POLYSACCHARIDE DERIVATIVE; PHOTODIMERIZABLE, CROSSLINKABLE SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 2000-02-15 US disclosed
EP-0713859-A2 Cinnamic acid derivatives, photocrosslinkable cinnamic acid-polymer derivative and crosslinked cinnamic acid polymer derivatives SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1996-05-29 EP disclosed
US-5212158-A Nootropic agents INORGAN SA RECHERCHE & DEVELOPPEMENT PHARMACEUTIQUES, CAS (CH) 1993-05-18 US disclosed