SCHEMBL28856403

SCHEMBL28856403

CCC(NC(=O)c1cc(Br)ccc1Cl)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.57
▸ ICAM1 P05362 2/20 0.57
▸ ITGAL P20701 2/20 0.57
▸ HPGD P15428 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GRN P28799 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ KDM4E B2RXH2 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
SCHEMBL5926328 0.84 ITGB1 (0.61) ITGB2ICAM1ITGALHPGDITGB1
SCHEMBL27607611 0.80 ITGB1 (0.60) HPGDMAPTLMNAKMT2AITGB1
SCHEMBL27607610 0.80 ITGB1 (0.60) HPGDMAPTLMNAKMT2AITGB1
SCHEMBL5927344 0.80 ITGB2 (0.62) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL2789470 0.80 ITGB1 (0.56) HPGDITGB1ITGA4ALDH1A1POLB
SCHEMBL26263222 0.80 ITGB1 (0.56) HPGDITGB1ITGA4ALDH1A1POLB
SCHEMBL29092068 0.79 HPGD (0.66) HPGDCYP1A2MAPTKMT2AALDH1A1
SCHEMBL7223858 0.79 HPGD (0.68) HPGDCYP1A2MAPTLMNAKMT2A
SCHEMBL26263205 0.76 ALDH1A1 (0.54) LMNAKMT2AALDH1A1POLB
SCHEMBL14532630 0.75 ITGB1 (0.57) ITGB2ICAM1ITGALMAPTITGB1

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-109305980-B Borate compound, and synthesis method and application thereof 成都奥璟生物科技有限公司 2022-10-11 — — CN disclosed
Send feedback