SCHEMBL7789539

SCHEMBL7789539

CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.49
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
APP P05067 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KLK5 Q9Y337 1/20 0.45
MMP2 P08253 2/20 0.44
LMNA P02545 1/20 0.44
EPHX1 P07099 1/20 0.44
LTA4H P09960 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL7789551 1.00 CTRB1 (0.49) CTRB1ALPIPKMPTGS1XIAP
SCHEMBL3804837 0.88 EPHX1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3804839 0.88 EPHX1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7799008 0.85 KLK5 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL7797841 0.85 KLK5 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL5371202 0.85 KLK5 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL7789578 0.85 KLK5 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL9016587 0.85 KLK5 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL9016579 0.85 KLK5 (0.62) APPPSEN1PSEN2APH1BNCSTN
Oxalic Acid SCHEMBL7796361 0.83 KLK5 (0.60) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed