SCHEMBL28705121

SCHEMBL28705121

Cc1ccc2c(c1)[C@@H](CO)CO2.Cc1ccc2c(c1)[C@H](C)CO2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR1D P28221 1/20 0.38
FFAR1 O14842 6/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
KDM4C Q9H3R0 1/20 0.35
CYP19A1 P11511 1/20 0.33
ADRA2A P08913 1/20 0.33
CA2 P00918 1/20 0.33
HTR2A P28223 1/20 0.32
TRPM5 Q9NZQ8 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
SCHEMBL30295621 0.92 HTR1A (0.43) HCRTR2HTR1AHTR2CSLC6A2HTR2B
SCHEMBL6100632 0.92 HTR1A (0.43) HCRTR2HTR1AHTR2CSLC6A2HTR2B
SCHEMBL7920992 0.86 HCRTR2 (0.45) HCRTR2HTR1AHTR2CSLC6A2HTR2B
SCHEMBL12362004 0.80 FFAR1 (0.47) FFAR1PPARGPPARDCYP19A1CA2
SCHEMBL13981216 0.78 HTR1A (0.51) HCRTR2HTR1AHTR2CSLC6A2HTR2B
SCHEMBL27347333 0.76 FFAR1 (0.60) FFAR1PPARGPPARD
SCHEMBL27347336 0.76 FFAR1 (0.60) FFAR1PPARGPPARD
SCHEMBL27347334 0.76 FFAR1 (0.60) FFAR1PPARGPPARD
SCHEMBL95790 0.74 HTR2C (0.61) HCRTR2HTR1AHTR2CSLC6A2HTR2B
SCHEMBL21056035 0.73 MAOB (0.46) HCRTR2HTR1AHTR2CHTR1DFFAR1

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-114028366-B Application of monocyclic monoterpene compound in preparation of anti-senile dementia drugs 北京中医药大学东直门医院 2023-02-28 CN disclosed
CN-114028366-A Application of monocyclic monoterpene compound in preparation of anti-senile dementia drugs 北京中医药大学东直门医院 2022-02-11 CN disclosed