SCHEMBL8498676

SCHEMBL8498676

CC(C)CN1C(C(=O)O)Cc2cc(Cl)ccc2S1(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.63
P2RX7 Q99572 3/20 0.43
POLB P06746 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ACE P12821 2/20 0.34

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
SCHEMBL8495095 0.85 CAPN1 (0.55) CAPN1P2RX7POLBGRIA1GRIA2
SCHEMBL7344609 0.82 CAPN1 (0.58) CAPN1P2RX7POLBGRIA1GRIA2
SCHEMBL27825469 0.67 AADAT (0.43) P2RX7POLBGRIA1GRIA2GRIA3
SCHEMBL7351908 0.67 CAPN1 (0.68) CAPN1ACE
SCHEMBL8494767 0.66 CAPN1 (0.58) CAPN1P2RX7GRIA1GRIA2GRIA3
SCHEMBL10920023 0.66 ACE (0.70) ACE
SCHEMBL5563136 0.66 ACE (0.48) ACE
SCHEMBL5563133 0.66 ACE (0.48) ACE
SCHEMBL7316478 0.65 ACE (0.53) ACE
SCHEMBL8495189 0.65 CAPN1 (0.55) CAPN1P2RX7POLBGRIA1GRIA2

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-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed