SCHEMBL9230746

SCHEMBL9230746

O=C(O)c1cc(C(F)(F)F)ccc1C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 3/20 0.52
SRD5A2 P31213 1/20 0.48
NR4A2 P43354 1/20 0.46
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KAT6A Q92794 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
VNN1 O95497 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
SORT1 Q99523 2/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA1B Q00975 1/20 0.41
MPO P05164 1/20 0.41

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
SCHEMBL9226099 0.89 LTC4S (0.56) LTC4SHSD17B10KAT6AMRGPRX4CDC25A
SCHEMBL9230984 0.86 LTC4S (0.53) LTC4SNR4A2HSD17B10KAT6AMRGPRX4
SCHEMBL9229632 0.85 POLB (0.55) LTC4SHSD17B10ALDH1A1KAT6AMRGPRX4
SCHEMBL9225314 0.85 LTC4S (0.63) LTC4SNR4A2HSD17B10KDM4EKAT6A
SCHEMBL9232001 0.85 LTC4S (0.55) LTC4SHSD17B10KAT6AMRGPRX4CDC25A
SCHEMBL9228797 0.84 CYP2C8 (0.54) LTC4SKDM4EALDH1A1HPGDMRGPRX4
SCHEMBL9227245 0.81 LTC4S (0.49) LTC4SKDM4EALDH1A1SORT1MPO
SCHEMBL9229708 0.81 LTC4S (0.48) LTC4SNR4A2HSD17B10KDM4EKAT6A
SCHEMBL690501 0.79 KAT6A (0.54) KAT6AMRGPRX4VNN1
SCHEMBL9229738 0.78 KAT6A (0.47) LTC4SKAT6AMRGPRX4

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