SCHEMBL16802380

SCHEMBL16802380

CC[C@](C)(N[C@@H](Cc1cnc[nH]1)C(=O)C(C)(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ QPCT Q16769 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL14962808 0.92 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18552977 0.89 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18375958 0.87 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18786594 0.87 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL17570989 0.85 ITGB2 (0.39) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL19483449 0.84 CYP3A4 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL19483446 0.84 CYP3A4 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL17750695 0.83 HRH3 (0.40) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL15691407 0.83 HRH3 (0.40) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18159671 0.81 ITGB2 (0.42) ITGB2ICAM1ITGALCYP3A4SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015168605-A1 METHODS FOR TREATMENT OF DISORDERS IN THE FRONT OF THE EYE UTILIZING NUCLEIC ACID MOLECULES RXI PHARMACEUTICALS CORPORATION (US) 2015-11-05 — — WO disclosed
WO-2015168108-A2 METHODS FOR TREATING CANCER USING NUCLEIC TARGETING MDM2 OR MYCN RXI PHARMACEUTICALS CORPORATION (US) 2015-11-05 — — WO disclosed
WO-2015085113-A1 METHODS FOR TREATMENT OF WOUND HEALING UTILIZING CHEMICALLY MODIFIED OLIGONUCLEOTIDES RXI PHARMACEUTICALS CORPORATION (US) 2015-06-11 — — WO disclosed
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