SCHEMBL10699747

SCHEMBL10699747

CC(=O)S[C@H]1C[C@@H](COC(C)(C)CN(Cc2ccc([N+](=O)[O-])cc2)C(=O)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.37
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
ECE1 P42892 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL9519170 0.84 DPP8 (0.38) CCR5ATMTDP1ALDH1A1MAPT
SCHEMBL9520260 0.84 ALDH1A1 (0.36) CCR5ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9522365 0.83 ALDH1A1 (0.36) CCR5ATMTDP1L3MBTL1ALDH1A1
SCHEMBL10371377 0.82 ALDH1A1 (0.39) ATMTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL10390470 0.82 ATM (0.39) ATMTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL10370148 0.81 GAA (0.38) CCR5ATMTDP1L3MBTL1ALDH1A1
SCHEMBL8112276 0.81 CCR5 (0.39) CCR5ATMTDP1ALDH1A1MAPT
SCHEMBL9039568 0.81 ATM (0.41) CCR5ATMTDP1ALDH1A1MAPT
SCHEMBL10862981 0.81 ATM (0.41) CCR5ATMTDP1ALDH1A1MAPT
SCHEMBL10391485 0.80 ECE1 (0.37) CCR5ATMTDP1L3MBTL1ALDH1A1

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-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed