SCHEMBL9789537

SCHEMBL9789537

CC1(C)C(C(=O)OCc2cccc(Oc3ccccc3)n2)C1(C(F)F)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
CNR1 P21554 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.34
KCNH2 Q12809 1/20 0.33
PLA2G10 O15496 1/20 0.32
PPARG P37231 2/20 0.32
P2RX3 P56373 4/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL11351076 0.88 TDP1 (0.39) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11244705 0.79 TDP1 (0.38) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9789540 0.76 ALDH1A1 (0.40) TDP1HSD17B14ALDH1A1
SCHEMBL11275809 0.75 ALDH1A1 (0.47) L3MBTL1HSD17B14KCNH2PLA2G10PPARG
SCHEMBL10933144 0.74 TDP1 (0.66) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11245643 0.74 TDP1 (0.66) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11245639 0.74 TDP1 (0.66) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10706101 0.72 TDP1 (0.53) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10706088 0.72 TDP1 (0.53) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10706094 0.72 TDP1 (0.53) TDP1LMNAADRA2ACNR1ATM

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
US-5049585-A Certain 3,3-bis-(difluoro methyl)2,2-dimethyl-cyclopropane carboxylates having insecticidal activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed