SCHEMBL9724425

SCHEMBL9724425

CC(C)(CN1C(=O)CCC1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 4/20 0.33
HTR2A P28223 2/20 0.33
HRH1 P35367 1/20 0.33
RIPK1 Q13546 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
GRM2 Q14416 1/20 0.31
ALOX12 P18054 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 1/20 0.31
S1PR2 O95136 1/20 0.31
ACLY P53396 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL32670255 0.77 RAB9A (0.32) SMN1; SMN2RAB9ATSHR
SCHEMBL12228960 0.75 BLM (0.34) TSHRPOLBMEN1KMT2A
SCHEMBL26696359 0.73 BLM (0.33) TSHR
SCHEMBL26961916 0.73 TSHR (0.49) TSHRPOLBALDH1A1ALOX12KMT2A
SCHEMBL3690441 0.72 HTR2A (0.39) HTR2AHRH1HTR2C
SCHEMBL29270763 0.72 PER2 (0.48) SMN1; SMN2TSHRKMT2AHTT
SCHEMBL24701273 0.71 TSHR (0.32) TSHR
SCHEMBL27251982 0.70 BLM (0.31)
SCHEMBL28655810 0.69 CA12 (0.55) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL18627863 0.69 HTR2A (0.35) HTR2AHRH1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153173-A Administering to humans and animals to modulate immunoresponse PLIVA FARMACEUTSKA (YU) 1992-10-06 US disclosed
EP-0390039-A2 N-Acyl derivatives of the peptidoglycan monomer, pharmaceutically acceptable salts thereof, their preparation and use in the manufacture of immunomodulators and immunoadjuvants PLIVA FARMACEUTSKA, KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA S P.O. (YU) 1990-10-03 EP disclosed