SCHEMBL7440689

SCHEMBL7440689

CC(C)c1ccc(C(=O)C(NC(=O)c2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
SLC1A2 P43004 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
HDAC1 Q13547 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
KMT2A Q03164 2/20 0.42
CCR1 P32246 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7433751 0.88 SLC1A2 (0.57) RAB9ASMN1; SMN2SLC1A2PPARGPPARA
SCHEMBL7488786 0.84 SLC1A2 (0.50) NPC1RAB9ASMN1; SMN2SLC1A2PPARG
SCHEMBL7496499 0.83 PPARG (0.48) NPC1RAB9ASMN1; SMN2SLC1A2PPARG
SCHEMBL16235034 0.78 CCR1 (0.60) ALDH1A1LMNAKMT2ACCR1HTT
SCHEMBL16234990 0.78 CCR1 (0.60) ALDH1A1LMNAKMT2ACCR1HTT
SCHEMBL7434063 0.77 CES2 (0.43) SMN1; SMN2SLC1A2ALDH1A1LMNAKMT2A
SCHEMBL16283734 0.77 CA2 (0.63) SLC1A2PPARGPPARACA2CA1
SCHEMBL7497460 0.76 SLC1A2 (0.48) SMN1; SMN2SLC1A2PPARGPPARAALDH1A1
SCHEMBL14119283 0.76 RAB9A (0.54) NPC1RAB9ASMN1; SMN2CA2CA1
SCHEMBL7432066 0.76 RAB9A (0.54) NPC1RAB9ASMN1; SMN2UTS2RKMT2A

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-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed