SCHEMBL631343

SCHEMBL631343

N[C@H](CC1CCCCC1)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
FKBP1A P62942 7/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40

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 0.83 ITGB1 (0.46) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL1381494 0.83 FKBP1A (0.55) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL630786 0.83 TDP1 (0.46) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL631469 0.83 ALDH1A1 (0.44) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL630266 0.80 ITGB1 (0.49) PKMALDH1A1LMNANPSR1MAPK1
SCHEMBL631194 0.79 ITGB1 (0.47) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL631775 0.79 LMNA (0.47) PKMALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL631233 0.77 FKBP1A (0.46) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL630023 0.74 AKR1C3 (0.44) PKMFKBP1AALDH1A1LMNANPSR1
SCHEMBL630470 0.74 MEN1 (0.48) PKMFKBP1AALDH1A1LMNANPSR1

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