SCHEMBL18932741

SCHEMBL18932741

CC(=O)[C@H](CCCNC(N)=O)NC(=O)C(CC(=O)O)NC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.46
▸ PTGS2 P35354 4/20 0.46
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ NPY4R P50391 4/20 0.39
▸ NPY5R Q15761 4/20 0.39
▸ NPY1R P25929 3/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ TLR2 O60603 1/20 0.35
▸ GNPAT O15228 1/20 0.35
▸ CCKBR P32239 2/20 0.35
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35

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
SCHEMBL17722910 1.00 PTGS1 (0.46) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL20889018 0.91 PTGS1 (0.45) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL21474404 0.91 PTGS1 (0.45) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL19681467 0.91 PTGS1 (0.45) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL18909028 0.91 PTGS1 (0.45) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL22694944 0.91 PTGS1 (0.46) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL17722904 0.91 NMT1 (0.45) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL20864073 0.90 PTGS1 (0.44) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL22668929 0.90 PTGS1 (0.44) PTGS1PTGS2ITGB3ITGA2BPTPN1
SCHEMBL17722906 0.89 NMT1 (0.48) NPY4RNPY5RNPY1RNPY2RROCK2

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-2017095805-A1 ANTI-huLRRC15 ANTIBODY DRUG CONJUGATES AND METHODS FOR THEIR USE ABBVIE INC. (US) 2017-06-08 — — WO disclosed
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