SCHEMBL22397285

SCHEMBL22397285

O=C1CCC[C@H]1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
KMT2A Q03164 3/20 0.41
MT-CO2 P00403 4/20 0.37
ALOX5 P09917 4/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TEK Q02763 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL120444 1.00 CA1 (0.42) CA1CA2CA4KMT2AMT-CO2
SCHEMBL11955 1.00 CA1 (0.42) CA1CA2CA4KMT2AMT-CO2
SCHEMBL895510 1.00 CA1 (0.42) CA1CA2CA4KMT2AMT-CO2
SCHEMBL12333841 1.00 CA1 (0.42) CA1CA2CA4KMT2AMT-CO2
SCHEMBL3728524 0.97 KMT2A (0.44) CA1CA2CA4KMT2AMT-CO2
SCHEMBL8902053 0.97 KMT2A (0.44) CA1CA2CA4KMT2AMT-CO2
SCHEMBL31276198 0.97 KMT2A (0.44) CA1CA2CA4KMT2AMT-CO2
SCHEMBL3438194 0.95 CA1 (0.48) CA1CA2CA4KMT2AMT-CO2
SCHEMBL4740702 0.95 CA1 (0.37) CA1CA2CA4KMT2AMT-CO2
SCHEMBL3477839 0.92 KMT2A (0.50) CA1CA2CA4KMT2AMT-CO2

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
EP-3703765-A1 APPARATUS AND METHOD FOR REDUCING MALODOR ON SURFACES The Procter and Gamble Company (US) 2020-09-09 EP claimed