SCHEMBL27322396

SCHEMBL27322396

CCC(=O)OC1CC(c2ccco2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.41
POLB P06746 6/20 0.41
TDP1 Q9NUW8 5/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 3/20 0.40
RECQL P46063 2/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL7970855 0.73 NPC1 (0.52) ADORA2BPOLBTDP1MAPTKMT2A
SCHEMBL23495094 0.71 CHRM2 (0.43) TDP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL12648261 0.69 POLB (0.54) ADORA2BPOLBTDP1MAPTKMT2A
SCHEMBL27915340 0.69 NAAA (0.43) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL6324049 0.67 MMP1 (0.46) POLBMAPTKMT2ANPSR1ALDH1A1
SCHEMBL13351529 0.66 MTNR1A (0.47) MAPTKMT2AALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL27680685 0.66 MMP1 (0.45) POLBMAPTKMT2ANPSR1ALDH1A1
SCHEMBL8367646 0.66 CHRM2 (0.40) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL28259375 0.66 CHRM2 (0.40) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL7970858 0.66 ADORA2B (0.42) ADORA2BPOLBTDP1MAPTKMT2A

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
CN-1029230-C Hydroxamic acid and N-hydroxyurea derivatives and their use PFIZER (US) 1995-07-05 CN disclosed
CN-1061775-A New hydroxamic acid and N-hydroxyl urea derivant and uses thereof PFIZER (US) 1992-06-10 CN disclosed