SCHEMBL28633577

SCHEMBL28633577

CC(O)C(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.53
SRD5A2 P31213 1/20 0.51
NPY2R P49146 1/20 0.50
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
LTA4H P09960 3/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL11531206 0.88 NPY5R (0.53) NPY5RSRD5A2NPY2RACACBACACA
SCHEMBL4368301 0.83 SRD5A2 (0.55) NPY5RSRD5A2ACACBACACALTA4H
Hydrochloric Acid SCHEMBL8692147 0.82 SRD5A2 (0.53) NPY5RSRD5A2ACACBACACALTA4H
SCHEMBL11439828 0.80 NPY5R (0.47) NPY5RSRD5A2NPY2RACACBACACA
SCHEMBL11438095 0.80 NPY5R (0.47) NPY5RSRD5A2NPY2RACACBACACA
SCHEMBL11442513 0.80 LTA4H (0.47) NPY5RSRD5A2NPY2RLTA4H
SCHEMBL6689612 0.80 KDM4E (0.65) TSHRADRA2AADRA2CLMNAHIF1A
SCHEMBL12761516 0.80 KDM4E (0.65) TSHRADRA2AADRA2CLMNAHIF1A
Diphenylether SCHEMBL11134302 0.80 LTA4H (0.67) NPY5RSRD5A2ACACBACACALTA4H
SCHEMBL517001 0.80 KDM4E (0.65) TSHRADRA2AADRA2CLMNAHIF1A

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
CN-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed