SCHEMBL9539627

SCHEMBL9539627

COC(=O)CC(c1ccc(OC(F)(F)F)cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.45
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 1/20 0.42
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.40
EPHX1 P07099 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
SCHEMBL9540445 0.84 FFAR1 (0.43) PDE2AALDH1A1FFAR1POLBTDP1
SCHEMBL435358 0.80 FFAR1 (0.48) ALDH1A1FFAR1
SCHEMBL13715262 0.80 FFAR1 (0.48) ALDH1A1FFAR1
SCHEMBL13715266 0.80 FFAR1 (0.48) ALDH1A1FFAR1
SCHEMBL9540511 0.79 SLC6A2 (0.49) FFAR1SMN1; SMN2L3MBTL1
SCHEMBL7549866 0.79 SLC6A2 (0.49) FFAR1SMN1; SMN2L3MBTL1
SCHEMBL7548232 0.79 SLC6A2 (0.49) FFAR1SMN1; SMN2L3MBTL1
SCHEMBL12900637 0.79 ALDH1A1 (0.47) ALDH1A1BACE1POLBMEN1KMT2A
SCHEMBL21688300 0.79 FFAR1 (0.56) ALDH1A1FFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL17493569 0.79 FFAR1 (0.39) ALDH1A1FFAR1MEN1KMT2A

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