SCHEMBL28945271

SCHEMBL28945271

CCCCCCCCCCCCCCc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TRPV1 Q8NER1 2/20 0.57
CALM1 P0DP23 2/20 0.56
HDAC8 Q9BY41 1/20 0.55
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL15272035 1.00 TAAR1 (0.59) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL30712274 1.00 TAAR1 (0.59) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL11862122 1.00 TAAR1 (0.59) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL11696002 1.00 TAAR1 (0.59) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL15178307 0.98 TAAR1 (0.61) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL4055725 0.93 TAAR1 (0.62) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL29604675 0.93 TAAR1 (0.62) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL9153660 0.88 TAAR1 (0.50) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL27554628 0.86 ALDH1A1 (0.56) TAAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL11692694 0.85 TRPV1 (0.48) TAAR1HDAC1HDAC3HDAC2HDAC6

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-115515614-A Compositions comprising extracts of alpinia and other plants for improving joint health and treating arthritis 尤尼根公司 2022-12-23 CN disclosed