SCHEMBL10458201

SCHEMBL10458201

CC(C)c1cccc(OCCF)c1OCCF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.41
ACHE P22303 1/20 0.41
KCNH2 Q12809 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR2B P41595 4/20 0.39
DRD1 P21728 3/20 0.39
DRD4 P21917 3/20 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
SCHEMBL7771564 0.86 LMNA (0.49) L3MBTL1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL25532282 0.83 L3MBTL1 (0.43) L3MBTL1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10456712 0.82 HTR2B (0.38) LMNAALOX15TSHRALDH1A1CHRM2
SCHEMBL10458074 0.81 LMNA (0.52) L3MBTL1MEN1KMT2ALMNAALOX15
SCHEMBL13453934 0.78 ALDH1A1 (0.44) L3MBTL1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10458228 0.77 HTR1A (0.45) L3MBTL1LMNAALOX15TSHRALDH1A1
SCHEMBL10458241 0.77 SMN1; SMN2 (0.68) L3MBTL1MEN1CYP1A2KMT2ALMNA
SCHEMBL13320404 0.75 SMN1; SMN2 (0.55) L3MBTL1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5873464 0.74 GABRA1 (0.50) L3MBTL1CYP1A2CYP3A4RECQLLMNA
SCHEMBL10458197 0.74 KCNH2 (0.39) LMNAALOX15TSHRCHRM2CHRM1

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
US-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 US claimed