SCHEMBL11670985

SCHEMBL11670985

COc1ccc2ccccc2c1/C=C/c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.51
BACE1 P56817 2/20 0.49
CHAT P28329 4/20 0.47
LMNA P02545 1/20 0.46
SLC37A4 O43826 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL11670988 1.00 KDM4E (0.56) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL11670549 0.83 MAPT (0.60) HPGDMAPTBACE1CHATLMNA
SCHEMBL2604953 0.83 BACE1 (0.61) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL11671491 0.83 MAPT (0.60) HPGDMAPTBACE1CHATLMNA
SCHEMBL2604947 0.83 KDM4E (0.55) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL2604951 0.83 CYP1A2 (0.55) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL2604931 0.82 CYP1A2 (0.61) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL8698781 0.81 MAPT (0.57) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL3954692 0.80 KDM4E (0.59) KDM4EHPGDMTNR1AMTNR1BCYP1A2
SCHEMBL3954698 0.80 KDM4E (0.59) KDM4EHPGDMTNR1AMTNR1BCYP1A2

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-4004573-A Process and apparatus for solar energy collection and retrieval BATTELLE DEVELOPMENT CORPORATION (US) 1977-01-25 US disclosed
US-4004572-A Solar energy collection and retrieval employing reversible photochemical isomerization BATTELLE DEVELOPMENT CORPORATION (US) 1977-01-25 US disclosed