SCHEMBL29286178

SCHEMBL29286178

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(I)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.38
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ LTA4H P09960 1/20 0.34
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ PCNA P12004 1/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL23544355 1.00 SLC7A5 (0.38) SLC7A5MTNR1AMTNR1BLTA4HGABRG2
SCHEMBL10564172 0.83 ITGA4 (0.41) SLC7A5LTA4HITGA4ITGB7KMT2A
SCHEMBL19720241 0.82 EGFR (0.38) SLC7A5MTNR1AMTNR1BLTA4HPCNA
SCHEMBL6367816 0.80 SLC7A5 (0.44) SLC7A5LTA4HITGA4ITGB7LMNA
SCHEMBL4339253 0.80 SLC7A5 (0.44) SLC7A5LTA4HITGA4ITGB7LMNA
SCHEMBL21732897 0.79 TACR1 (0.43) TACR1
SCHEMBL25528807 0.79 MTNR1A (0.33) MTNR1AMTNR1BGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL7386240 0.78 SLC7A5 (0.43) SLC7A5LTA4HITGA4ITGB7LMNA
Hydrochloric Acid SCHEMBL6367810 0.78 SLC7A5 (0.43) SLC7A5LTA4HITGA4ITGB7LMNA
SCHEMBL29286183 0.77 USP2 (0.50) SLC7A5PCNAKMT2AMEN1BLM

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
CN-118344390-A Polyboronate substituted phenylalanine derivative and preparation method and application thereof 莆田兰海核医学研究中心 2024-07-16 — — CN disclosed
Send feedback