SCHEMBL27673182

SCHEMBL27673182

C[C@@H](O)COc1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 3/20 0.32
KDM4E B2RXH2 2/20 0.32
AGTR1 P30556 1/20 0.32
SCN4A P35499 3/20 0.31
TSHR P16473 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNK3 O14649 1/20 0.31
CACNA1F O60840 1/20 0.31
KCNK2 O95069 1/20 0.31
GBA1 P04062 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL264457 0.85 POLB (0.37) LMNACYP2D6CYP1A2SCN4ATSHR
SCHEMBL10785094 0.85 LMNA (0.34) LMNACYP1A2KDM4EAGTR1
SCHEMBL15238592 0.81 LMNA (0.32) LMNA
SCHEMBL4776326 0.80 FFAR1 (0.40) LMNASCN4A
SCHEMBL14237494 0.80 GRM4 (0.33) LMNACYP2D6CYP1A2SCN4ATSHR
SCHEMBL6601291 0.80 CYP1A2 (0.49) LMNAADRB2ADRB1ADRB3CYP2D6
SCHEMBL11704318 0.80 ALOX15 (0.33) LMNA
SCHEMBL10917354 0.79 TSHR (0.49) LMNACYP1A2KDM4EAGTR1TSHR
SCHEMBL9534758 0.79 LMNA (0.41) LMNACYP2D6KDM4EMEN1KMT2A
SCHEMBL7334401 0.78 ADRB2 (0.42) ADRB2ADRB1ADRB3CYP2D6ALDH1A1

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-1906200-A Novel compounds ASTRAZENECA AB (SE) 2007-01-31 CN disclosed