SCHEMBL7442872

SCHEMBL7442872

C[C@@H](CO)N(C(=O)OC(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
HSD17B10 Q99714 1/20 0.36
NR1D1 P20393 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
NQO2 P16083 1/20 0.36
CTNNB1 P35222 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 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
SCHEMBL1432658 0.83 SMPD2 (0.41) BACE1CTSSCTSKKDM4EALDH1A1
SCHEMBL7229620 0.83 SMPD2 (0.41) BACE1CTSSCTSKKDM4EALDH1A1
SCHEMBL1326634 0.83 SMPD2 (0.41) BACE1CTSSCTSKKDM4EALDH1A1
SCHEMBL27597531 0.81 MEN1 (0.40) BACE1CTSSCTSKKDM4EALDH1A1
SCHEMBL6139113 0.81 MEN1 (0.40) BACE1CTSSCTSKKDM4EALDH1A1
SCHEMBL3288030 0.78 SMN1; SMN2 (0.43) ALDH1A1TDP1HSD17B10L3MBTL1KMT2A
SCHEMBL1134230 0.78 SMN1; SMN2 (0.43) ALDH1A1TDP1HSD17B10L3MBTL1KMT2A
SCHEMBL6237773 0.78 BACE1 (0.45) BACE1CTSSALDH1A1KMT2AHPGD
SCHEMBL8628583 0.77 BACE1 (0.36) BACE1CTSSCTSKKDM4EALDH1A1
SCHEMBL6832915 0.77 SMN1; SMN2 (0.40) CTSSCTSKALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616605-A Peptide derivatives of collagenase inhibitor RESEARCH CORPORATION TECH., INC. (US) 1997-04-01 US disclosed
US-5387610-A Treating rheumatoid arthritis, corneal ulceration RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-02-07 US disclosed
WO-1992022523-A2 PEPTIDE DERIVATIVES OF COLLAGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-23 WO disclosed