SCHEMBL3927855

SCHEMBL3927855

CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.56
▸ CTNNB1 P35222 1/20 0.51
▸ MME P08473 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ CTSL P07711 1/20 0.48
▸ MMP9 P14780 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FNTA P49354 1/20 0.47
▸ PGGT1B P53609 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL7604376 1.00 TACR1 (0.56) TACR1CTNNB1MMEACECPA1
SCHEMBL8674187 0.86 CTNNB1 (0.60) CTNNB1MMEACECPA1ACE2
SCHEMBL9461912 0.86 CTNNB1 (0.60) CTNNB1MMEACECPA1ACE2
SCHEMBL3662835 0.86 CTNNB1 (0.60) CTNNB1MMEACECPA1ACE2
SCHEMBL3923882 0.84 CTSL (0.51) TACR1ACECTSLGAARAB9A
SCHEMBL3923878 0.84 CTSL (0.51) TACR1ACECTSLGAARAB9A
SCHEMBL3659456 0.82 MME (0.56) TACR1CTNNB1MMEACECPA1
SCHEMBL3658919 0.81 MME (0.54) TACR1CTNNB1MMEACECPA1
SCHEMBL3927028 0.80 CTSL (0.71) ACECTSLGAARAB9ACTSS
SCHEMBL28790851 0.80 CTSL (0.71) ACECTSLGAARAB9ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 — — US claimed
JP-2002512960-A — — 2002-05-08 — — JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 — — EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 — — WO claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 — — EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 — — US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 — — EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 — — US disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 — — EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 — — WO disclosed
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