SCHEMBL7913469

SCHEMBL7913469

COc1ccc(C(O)CNC(=O)CCl)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ADRB2 P07550 3/20 0.47
CYP3A4 P08684 2/20 0.47
NFKB1 P19838 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC22A1 O15245 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC22A3 O75751 1/20 0.47

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
SCHEMBL7919815 0.94 NFKB1 (0.52) LMNATSHRCYP1A2CYP2C19ADORA3
SCHEMBL7906162 0.86 SMPD1 (0.51) LMNAALDH1A1ADRB2ADRB3SMN1; SMN2
SCHEMBL11429666 0.80 CA12 (0.46) LMNATSHRCYP2C19ALDH1A1ADRB2
SCHEMBL6576604 0.78 ADRA1A (0.77) LMNATSHRCYP1A2CYP2C19ADORA3
SCHEMBL11818791 0.78 KMT2A (0.52) ALDH1A1SMN1; SMN2
SCHEMBL29511863 0.77 HIF1A (0.58) LMNATSHRCYP1A2ADORA3ADRA1A
SCHEMBL3652526 0.77 HIF1A (0.58) LMNATSHRCYP1A2ADORA3ADRA1A
SCHEMBL11429840 0.77 SLC22A3 (0.49) LMNATSHRALDH1A1ADRB2CYP3A4
SCHEMBL11002220 0.77 SMN1; SMN2 (0.62) LMNAALDH1A1ACHESMN1; SMN2
SCHEMBL21709181 0.77 LMNA (0.41) LMNATSHRCYP1A2CYP2C19ADORA3

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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed