SCHEMBL7438567

SCHEMBL7438567

CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)Nc1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.63
CTRB1 P17538 4/20 0.63
CTSL P07711 2/20 0.34
P2RX7 Q99572 1/20 0.34
CTSS P25774 2/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7437409 0.91 ELANE (0.65) ELANECTRB1CTSLP2RX7CTSS
SCHEMBL6496223 0.88 ELANE (0.72) ELANECTRB1CTSLP2RX7CTSS
SCHEMBL7445829 0.87 ELANE (0.46) ELANECTRB1CTSLP2RX7CTSS
SCHEMBL7837321 0.86 ELANE (0.70) ELANECTRB1ALDH1A1
SCHEMBL7844661 0.86 CTRB1 (0.49) ELANECTRB1
SCHEMBL7849508 0.86 CTRB1 (0.56) ELANECTRB1
SCHEMBL6498606 0.86 ELANE (0.59) ELANECTRB1ALDH1A1
SCHEMBL7449581 0.85 ELANE (0.46) ELANECTRB1ALDH1A1
SCHEMBL8545350 0.83 ELANE (0.46) ELANECTRB1
SCHEMBL6507450 0.83 ELANE (0.47) ELANECTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed