SCHEMBL11083185

SCHEMBL11083185

Cc1cccc(CC(O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
GRM5 P41594 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AOC3 Q16853 4/20 0.40
RIPK1 Q13546 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 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
SCHEMBL8285675 0.81 GRM5 (0.53) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL8307713 0.79 GRIN2D (0.57) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL14592093 0.79 SMN1; SMN2 (0.42) LMNASMN1; SMN2KMT2AMEN1OPRM1
SCHEMBL8995830 0.78 NOS2 (0.46) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL23343777 0.78 NOS2 (0.46) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL2614966 0.74 KDM4E (0.46) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL9491676 0.73 KDM4E (0.63) LMNAKDM4EL3MBTL1MAOAMAOB
SCHEMBL22728750 0.73 KDM4E (0.63) LMNAKDM4EL3MBTL1MAOAMAOB
SCHEMBL8615700 0.72 CYP1A2 (0.47) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL25268173 0.72 CCR1 (0.36) SMN1; SMN2KMT2AMEN1OPRM1OPRD1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015073-B1 SMOKING, FLAVORED AND FOODSTUFF COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1983-05-18 EP claimed
US-4259969-A HYDROXYALKYLPYRAZINES AND -PYRIDINES PHILIP MORRIS INCORPORATED (US) 1981-04-07 US claimed
EP-0015073-A1 Smoking, flavored and foodstuff compositions PHILIP MORRIS INCORPORATED (US) 1980-09-03 EP claimed
US-4474819-A Flavored foodstuffs PHILIP MORRIS, INCORPORATED (US) 1984-10-02 US disclosed
EP-0015073-B1 SMOKING, FLAVORED AND FOODSTUFF COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1983-05-18 EP disclosed
US-4259969-A HYDROXYALKYLPYRAZINES AND -PYRIDINES PHILIP MORRIS INCORPORATED (US) 1981-04-07 US disclosed
EP-0015073-A1 Smoking, flavored and foodstuff compositions PHILIP MORRIS INCORPORATED (US) 1980-09-03 EP disclosed