SCHEMBL9229708

SCHEMBL9229708

O=C(O)c1ccc(F)cc1C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.48
HSD11B1 P28845 1/20 0.46
KAT6A Q92794 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NR4A2 P43354 2/20 0.42
CYP2C8 P10632 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
POLB P06746 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
DHODH Q02127 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL9230984 0.95 LTC4S (0.53) LTC4SHSD11B1KAT6AMRGPRX4NR4A2
SCHEMBL9231659 0.93 LTC4S (0.46) LTC4SHSD11B1KAT6AKDM4EMRGPRX4
SCHEMBL27437820 0.87 LTC4S (0.43) LTC4SHSD11B1KAT6AKDM4ECYP2C8
SCHEMBL9229632 0.86 POLB (0.55) LTC4SKAT6AMRGPRX4IGF2BP2CDC25A
SCHEMBL9226099 0.85 LTC4S (0.56) LTC4SKAT6AMRGPRX4CYP2C8IGF2BP2
SCHEMBL9230569 0.84 HSD11B1 (0.46) LTC4SHSD11B1KAT6ATAS1R3TAS1R1
SCHEMBL9231966 0.82 AKR1C3 (0.49) LTC4SKDM4EPOLB
SCHEMBL9225314 0.81 LTC4S (0.63) LTC4SKAT6AKDM4EMRGPRX4NR4A2
SCHEMBL9232001 0.81 LTC4S (0.55) LTC4SKAT6AMRGPRX4CYP2C8CDC25A
SCHEMBL9230746 0.81 LTC4S (0.52) LTC4SKAT6AKDM4EMRGPRX4NR4A2

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
CN-1103866-A Nes pesticides RHONE POULENC AGRICULTURE (GB) 1995-06-21 CN disclosed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed