SCHEMBL10834840

SCHEMBL10834840

CC1(C)C(C=C(F)C(F)(F)F)C1(Cc1ccc(F)cc1Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL10835051 0.71 CYP1A2 (0.53) P2RX7HTTSMN1; SMN2POLBL3MBTL1
SCHEMBL10834837 0.71 CYP1A2 (0.53) P2RX7HTTSMN1; SMN2POLBL3MBTL1
SCHEMBL9406971 0.70
SCHEMBL8754765 0.68 CYP1A2 (0.52) SMN1; SMN2POLBMAPTCYP2D6CYP2C19
SCHEMBL10625926 0.68 MEN1 (0.35) MEN1KMT2A
SCHEMBL11071993 0.67 POLQ (0.38) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL10481655 0.67 MEN1 (0.35) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL24173290 0.66 L3MBTL1 (0.48) P2RX7HTTSMN1; SMN2POLBL3MBTL1
SCHEMBL30941510 0.66 L3MBTL1 (0.48) P2RX7HTTSMN1; SMN2POLBL3MBTL1
SCHEMBL441474 0.65 MEN1 (0.42) MEN1KMT2A

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-4567199-A SOIL INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 US disclosed