SCHEMBL21020516

SCHEMBL21020516

C=C(C)C1C(c2ccc(C(F)(F)F)cc2)C1(O)Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HTR2C P28335 3/20 0.33
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 1/20 0.31
TGM2 P21980 1/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
KIF11 P52732 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL21021686 0.84 CES2 (0.34) KDM1ARCOR1HTR2CNR4A1NR4A2
SCHEMBL21020519 0.82 KDM1A (0.39) KDM1ARCOR1HTR2CHTTMAPT
SCHEMBL21021833 0.75 SLC9A1 (0.48)
SCHEMBL21021169 0.74 MEN1 (0.31) MAPT
SCHEMBL21021071 0.74
SCHEMBL21020525 0.69 CES2 (0.34) CES2
SCHEMBL20076553 0.69 SLC9A1 (0.35)
SCHEMBL20076772 0.69 KDM1A (0.40) KDM1ARCOR1HTR2CHTTMAPT
SCHEMBL18144167 0.68 MEN1 (0.41) NR4A1NR4A2NR4A3HTTMAPT
SCHEMBL18144170 0.68 MEN1 (0.41) NR4A1NR4A2NR4A3HTTMAPT

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed