SCHEMBL630266

SCHEMBL630266

CC(=O)Nc1ccc(C[C@@H](N)NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.49
ITGA5 P08648 2/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.46
ADRB2 P07550 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
PKM P14618 1/20 0.42
AKR1C3 P42330 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL630767 0.88 ITGB1 (0.46) ITGB1ITGA5LMNAALDH1A1PKM
SCHEMBL630237 0.86 ITGB1 (0.63) ITGB1ITGA5LMNAALDH1A1KMT2A
SCHEMBL631469 0.86 ALDH1A1 (0.44) ITGB1ITGA5LMNAALDH1A1SMN1; SMN2
SCHEMBL1383454 0.86 ITGB1 (0.63) ITGB1ITGA5LMNAALDH1A1KMT2A
SCHEMBL630786 0.82 TDP1 (0.46) LMNAALDH1A1PKMTDP1MAPK1
SCHEMBL631343 0.80 PKM (0.43) LMNAALDH1A1SMN1; SMN2PKMTDP1
SCHEMBL631194 0.79 ITGB1 (0.47) ITGB1ITGA5LMNAALDH1A1KMT2A
SCHEMBL631775 0.77 LMNA (0.47) LMNAALDH1A1TSHRKMT2AMEN1
SCHEMBL631233 0.77 FKBP1A (0.46) ITGB1ITGA5LMNAALDH1A1PKM
SCHEMBL630023 0.76 AKR1C3 (0.44) ITGB1ITGA5LMNAALDH1A1PKM

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed