SCHEMBL631075

SCHEMBL631075

CC(C)(C)CN[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.43
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
BDKRB1 P46663 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39

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
SCHEMBL630023 0.88 AKR1C3 (0.44) FKBP1APKMTDP1LMNAPOLB
SCHEMBL631233 0.85 FKBP1A (0.46) FKBP1APKMTDP1LMNAPOLB
SCHEMBL630007 0.82 FKBP1A (0.48) FKBP1ATDP1LMNABDKRB1
SCHEMBL630470 0.81 MEN1 (0.48) FKBP1APKMTDP1LMNAPOLB
SCHEMBL631194 0.81 ITGB1 (0.47) FKBP1APKMTDP1LMNAITGB1
SCHEMBL629939 0.80 CCR4 (0.43) FKBP1APKMTDP1LMNABDKRB1
SCHEMBL631251 0.80 ALDH1A1 (0.49) FKBP1APKMTDP1
SCHEMBL630767 0.77 ITGB1 (0.46) FKBP1APKMTDP1LMNAPOLB
SCHEMBL631469 0.76 ALDH1A1 (0.44) FKBP1APKMTDP1LMNAPOLB
SCHEMBL630266 0.76 ITGB1 (0.49) PKMTDP1LMNAPOLBITGB1

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