SCHEMBL10458263

SCHEMBL10458263

CC(C)c1ccc(OCCF)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
HTR1B P28222 6/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1D P28221 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10458637 0.85 IDO1 (0.57) IDO1HTR1BALDH1A1LMNAMEN1
SCHEMBL10456785 0.83 IDO1 (0.49) IDO1HTR1BALDH1A1LMNANR2E1
SCHEMBL14088917 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL10458304 0.80 IDO1 (0.50) IDO1HTR1BALDH1A1LMNACYP1A2
SCHEMBL16019506 0.80 HTR1B (0.59) HTR1BALDH1A1MEN1CYP1A2KMT2A
SCHEMBL10458360 0.77 HTR1B (0.53) IDO1HTR1BNR2E1HTR1DKDM4E
SCHEMBL10458361 0.75 GPR84 (0.51) IDO1HTR1BALDH1A1LMNAMEN1
SCHEMBL10457901 0.75 IDO1 (0.47) IDO1HTR1BALDH1A1LMNAMEN1
SCHEMBL30876294 0.74 GABRA1 (0.48) LMNACYP1A2CYP3A4L3MBTL1HTR2C
SCHEMBL8781825 0.74 GABRA1 (0.48) LMNACYP1A2CYP3A4L3MBTL1HTR2C

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