SCHEMBL9232001

SCHEMBL9232001

Cc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 2/20 0.55
POLB P06746 1/20 0.52
DHODH Q02127 1/20 0.44
KAT6A Q92794 1/20 0.44
CYP2C8 P10632 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
AKR1C3 P42330 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
MRGPRX4 Q96LA9 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) LTC4SPOLBDHODHKAT6ACYP2C8
SCHEMBL9228797 0.86 CYP2C8 (0.54) LTC4SPOLBCYP2C8AKR1C3MRGPRX4
SCHEMBL9230984 0.86 LTC4S (0.53) LTC4SPOLBDHODHKAT6ACYP2C8
SCHEMBL9229632 0.85 POLB (0.55) LTC4SPOLBDHODHKAT6ACDC25A
SCHEMBL9225314 0.85 LTC4S (0.63) LTC4SDHODHKAT6ACYP2C8CDC25A
SCHEMBL9230746 0.85 LTC4S (0.52) LTC4SKAT6ACDC25ACDC25BHSD17B10
SCHEMBL14297682 0.82 ELANE (0.49) POLBKAT6AHDAC8TAS1R3TAS1R1
SCHEMBL9172338 0.81 DHODH (0.53) LTC4SPOLBDHODHKAT6AHDAC8
SCHEMBL9227245 0.81 LTC4S (0.49) LTC4SPOLBAKR1C3MEN1KMT2A
SCHEMBL9229708 0.81 LTC4S (0.48) LTC4SPOLBDHODHKAT6ACYP2C8

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