SCHEMBL9540366

SCHEMBL9540366

O=CCC(c1ccc(OC(F)(F)F)cc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MMP1 P03956 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 3/20 0.36
SLC6A4 P31645 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MMP14 P50281 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL9539582 0.80 RPS6KB1 (0.39) PDE2A
SCHEMBL9539598 0.78 SLC6A4 (0.39) PDE2AALDH1A1EPHX2SLC6A4
SCHEMBL9539627 0.75 PDE2A (0.45) PDE2AALDH1A1POLBEPHX2EPHX1
SCHEMBL9539646 0.74 SLC6A2 (0.44) SLC6A4
SCHEMBL9160756 0.74 PDE2A (0.34) PDE2AEPHX2
SCHEMBL9160972 0.74 PDE2A (0.34) PDE2AEPHX2SLC6A4
SCHEMBL16861435 0.74 PDE2A (0.44) PDE2AALDH1A1EPHX2SLC6A4EPHX1
SCHEMBL21495045 0.73 EPHX2 (0.46) ALDH1A1KDM4EPOLBEPHX2SLC6A4
SCHEMBL9158049 0.73 CCR5 (0.32) PDE2A
SCHEMBL8041260 0.72 KDM4E (0.43) ALDH1A1KDM4EPOLBEPHX2SLC6A4

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
US-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed