SCHEMBL7652570

SCHEMBL7652570

COC(=O)C[C@@H](NC(C)=O)c1ccc(N(C(C)=O)c2ccc(NC(=O)Nc3ccccc3C)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB1 P05556 7/20 0.40
ITGA4 P13612 7/20 0.40
MEN1 O00255 2/20 0.38
ITGB7 P26010 1/20 0.38
GAA P10253 1/20 0.38
DDX3X O00571 1/20 0.37
HPGD P15428 1/20 0.36
PYGL P06737 1/20 0.36

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
SCHEMBL7650759 0.93 ITGB1 (0.46) KMT2ARAB9ANPC1SMN1; SMN2UTS2R
SCHEMBL7650754 0.93 ITGB1 (0.46) KMT2ARAB9ANPC1SMN1; SMN2UTS2R
SCHEMBL7652572 0.92 KMT2A (0.39) KMT2ARAB9ANPC1SMN1; SMN2UTS2R
SCHEMBL7652562 0.92 KMT2A (0.39) KMT2ARAB9ANPC1SMN1; SMN2UTS2R
SCHEMBL5700984 0.85 ITGB1 (0.51) KMT2AMAPTALDH1A1L3MBTL1ITGB1
SCHEMBL5700989 0.85 ITGB1 (0.51) KMT2AMAPTALDH1A1L3MBTL1ITGB1
Water SCHEMBL7651150 0.85 ITGB1 (0.51) KMT2AMAPTALDH1A1L3MBTL1ITGB1
SCHEMBL5700993 0.85 ITGB1 (0.51) KMT2AMAPTALDH1A1L3MBTL1ITGB1
SCHEMBL5700996 0.85 ITGB1 (0.51) KMT2AMAPTALDH1A1L3MBTL1ITGB1
Water SCHEMBL7651153 0.85 ITGB1 (0.51) KMT2AMAPTALDH1A1L3MBTL1ITGB1

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
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed