SCHEMBL9769262

SCHEMBL9769262

CC(COc1cc[c]cc1)C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
PTGS1 P23219 1/20 0.45
LMNA P02545 1/20 0.44
SCN4A P35499 4/20 0.43
FFAR1 O14842 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
CYP2D6 P10635 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL29150458 0.83 MAOA (0.47) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL15551593 0.80 TAAR1 (0.46) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL1509392 0.77 SCN4A (0.43) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL9534764 0.76 LMNA (0.47) LMNASCN4AADRB2KMT2AMEN1
SCHEMBL5134624 0.75 SCN4A (0.53) MAOAPTGS1LMNASCN4AFFAR1
SCHEMBL159889 0.74 MAPT (0.43) MAOAPTGS1LMNACYP2D6KMT2A
SCHEMBL6956956 0.73 RIPK1 (0.43) MAOAPTGS1MAPK1
SCHEMBL11555241 0.71 PTGS1 (0.40) MAOAPTGS1LMNASCN4AMTNR1A
SCHEMBL27917023 0.71 LMNA (0.64) MAOAPTGS1LMNAMTNR1AMTNR1B
SCHEMBL17133871 0.71 PTGS1 (0.40) MAOAPTGS1LMNAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
EP-0303269-A2 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 EP disclosed