SCHEMBL9540445

SCHEMBL9540445

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PDE2A O00408 3/20 0.43
FFAR2 O15552 1/20 0.40
TEAD1 P28347 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL9539627 0.84 PDE2A (0.45) FFAR1PDE2AALDH1A1POLBTDP1
SCHEMBL435358 0.82 FFAR1 (0.48) FFAR1ALDH1A1
SCHEMBL13715266 0.82 FFAR1 (0.48) FFAR1ALDH1A1
SCHEMBL13715262 0.82 FFAR1 (0.48) FFAR1ALDH1A1
SCHEMBL7549866 0.81 SLC6A2 (0.49) FFAR1GAA
SCHEMBL9540511 0.81 SLC6A2 (0.49) FFAR1GAA
SCHEMBL7548232 0.81 SLC6A2 (0.49) FFAR1GAA
SCHEMBL21688300 0.81 FFAR1 (0.56) FFAR1ALDH1A1
SCHEMBL10639237 0.80 PDE2A (0.38) PDE2ACYP11B1CYP11B2
SCHEMBL19650800 0.78 TEAD1 (0.46) TEAD1CYP11B1CYP11B2LDHALDHB

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