SCHEMBL5403833

SCHEMBL5403833

C1=CC2CCC1C2.CC(C)(C)OC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
BTK Q06187 1/20 0.37
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H2 P55055 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.30
ELANE P08246 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
SCHEMBL15365687 0.82 CHRM2 (0.33) CHRM2CHRM1CHRM3BTKNFKB1
SCHEMBL4146062 0.79 POLB (0.33) KMT2AMAPK1
SCHEMBL6065300 0.78 HRH3 (0.37) CHRM2CHRM1CHRM3BTKNFKB1
SCHEMBL2478423 0.76 POLB (0.32)
SCHEMBL8027303 0.76 POLB (0.32)
Acetic Acid SCHEMBL539228 0.75 POLB (0.40)
Bicarbonate SCHEMBL4270205 0.75 POLB (0.38) KMT2A
Bicarbonate SCHEMBL976297 0.75 POLB (0.38) KMT2A
Benzene SCHEMBL1003607 0.75 DGAT1 (0.40) NFKB1NFKB2RELAGPR119KMT2A
SCHEMBL21436131 0.75 DGAT1 (0.43) CHRM2CHRM1CHRM3BTKKMT2A

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-7285373-B2 Polymer and chemically amplified resist composition containing the same KOREA KUMHO PETROCHEMICAL CO., LTD (KR) 2007-10-23 US disclosed
US-20050153236-A1 Novel polymer and chemically amplified resist composition containing the same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2005-07-14 US disclosed