SCHEMBL9550831

SCHEMBL9550831

CCOC(=O)C1(S)CCCCC1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 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
SCHEMBL28177553 0.79 KMT2A (0.38) KMT2AMEN1MAPK1HTTCYP3A4
SCHEMBL7672851 0.71 SMN1; SMN2 (0.40) KMT2AMEN1LMNAKCNH2HSD17B10
SCHEMBL9660794 0.70 F10 (0.39) MAPK1LMNAHSD17B10ALDH1A1MAPT
SCHEMBL7677096 0.70 SMN1; SMN2 (0.39) KMT2AMEN1CYP3A4LMNATSHR
SCHEMBL6155681 0.70 ALDH1A1 (0.37) KMT2AMEN1MAPK1LMNAHSD17B10
SCHEMBL7733840 0.69 CYP3A4 (0.63) KMT2AMEN1MAPK1HTTCYP3A4
SCHEMBL1815035 0.69 SMN1; SMN2 (0.41) KMT2AMEN1LMNAKCNH2HSD17B10
SCHEMBL9572091 0.69 F10 (0.40) KMT2AMEN1MAPK1HTTCYP3A4
SCHEMBL23225659 0.68 CYP3A4 (0.66) KMT2AMEN1MAPK1HTTCYP3A4
SCHEMBL10389179 0.68 KDM4E (0.40) KMT2AMEN1MAPK1HTTCYP3A4

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
JP-5213899-A None JP disclosed
JP-H05213899-A NEW HALOGENATED CYCLOALKENECARBOXYLIC ACID DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT MITSUBISHI PETROCHEM CO LTD 1993-08-24 JP disclosed