SCHEMBL28802201

SCHEMBL28802201

CC1(C)CC[C@H](COCc2ccccc2)O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
TSHR P16473 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
DRD1 P21728 1/20 0.38
DPP4 P27487 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL28802203 1.00 LMNA (0.47) LMNAHRH4HRH3TSHROPRM1
SCHEMBL524359 1.00 LMNA (0.47) LMNAHRH4HRH3TSHROPRM1
SCHEMBL30989120 0.86 TRPV6 (0.44) LMNAL3MBTL1
SCHEMBL1860568 0.79 LMNA (0.45) LMNAHRH4HRH3TSHRTAAR1
SCHEMBL28102974 0.78 LMNA (0.44) LMNAHRH4HRH3TSHRTAAR1
SCHEMBL25262482 0.77 LMNA (0.43) LMNAHRH4HRH3TSHRTAAR1
SCHEMBL29263037 0.77 LMNA (0.43) LMNAHRH4HRH3TSHRTAAR1
SCHEMBL31058889 0.77 LMNA (0.43) LMNAHRH4HRH3TSHRTAAR1
SCHEMBL27785550 0.76 SLC6A2 (0.49)
SCHEMBL27785546 0.76 SLC6A2 (0.49)

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-103052631-A Methods and compounds for treating paramyxoviridae virus infections GILEAD SCIENCES INC 2013-04-17 CN disclosed