SCHEMBL9408970

SCHEMBL9408970

FC(F)(F)C(F)(F)CC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 4/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
PDE8B O95263 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL9408964 0.94 ALDH1A1 (0.36) ALDH1A1KMT2APKMTSHRLMNA
SCHEMBL6304979 0.82 ALDH1A1 (0.42) ALDH1A1KMT2APKMTSHRLMNA
SCHEMBL14527694 0.77 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRLMNAPOLB
SCHEMBL8570447 0.76 ALDH1A1 (0.38) ALDH1A1KMT2APKMTSHRLMNA
SCHEMBL14961482 0.75 LMNA (0.40) ALDH1A1TSHRLMNAPOLBSMN1; SMN2
SCHEMBL2848926 0.74 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL14143193 0.74
SCHEMBL8014509 0.74
SCHEMBL329518 0.73 KMT2A (0.38) ALDH1A1KMT2APKMTSHRLMNA
SCHEMBL2622404 0.73 KMT2A (0.37) ALDH1A1KMT2APKMTSHRLMNA

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
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed