SCHEMBL28738071

SCHEMBL28738071

O=CC1CCCCC1COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
SCN9A Q15858 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL23851449 0.82 TSHR (0.47) TSHRLMNACTSLCTSBCTSK
SCHEMBL24188714 0.80 KDM1A (0.41) TSHRSCN9A
SCHEMBL5026595 0.77 LMNA (0.36) TSHRLMNASCN9ACTSLCTSB
SCHEMBL5117022 0.77 LMNA (0.36) TSHRLMNASCN9ACTSLCTSB
SCHEMBL22110584 0.77 TSHR (0.58) TSHRLMNASCN9ACTSLCTSB
SCHEMBL22835631 0.77 RAB9A (0.49) TSHRSCN9AABHD6DAGLATAAR1
SCHEMBL4677170 0.74 TSHR (0.54) TSHRLMNACTSLCTSBCTSK
SCHEMBL13942035 0.74 SCN9A (0.50) TSHRLMNASCN9ACTSLCTSB
SCHEMBL18580533 0.74 TSHR (0.45) TSHRLMNASCN9ACTSLCTSB
SCHEMBL10280961 0.74 SCN9A (0.50) TSHRLMNASCN9ACTSLCTSB

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-114502158-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2022-05-13 CN disclosed