SCHEMBL11869983

SCHEMBL11869983

CC(C)=CC1C(C(=O)OC2COc3ccc(Cc4ccccc4)cc32)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.38
ADRA2A P08913 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
RIPK1 Q13546 2/20 0.34
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33

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
SCHEMBL11868723 0.88 CYP1A2 (0.45) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11876030 0.87 TACR1 (0.35) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11873201 0.85 CYP1A2 (0.42) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11602070 0.84 CYP1A2 (0.46) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11864419 0.84 CYP1A2 (0.46) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11868246 0.83 CYP1A2 (0.44) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11868926 0.82 CYP1A2 (0.48) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11868922 0.82 CYP1A2 (0.48) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11866412 0.82 CYP1A2 (0.44) TDP1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11866419 0.82 CYP1A2 (0.44) TDP1CYP1A2CYP2C19CYP3A4CYP2D6

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-3976663-A INSECTICIDE THE PROCTER & GAMBLE COMPANY (US) 1976-08-24 US claimed
US-3976663-A INSECTICIDE THE PROCTER & GAMBLE COMPANY (US) 1976-08-24 US disclosed