SCHEMBL28448347

SCHEMBL28448347

CC(C)(C)c1ccc([P](=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD11B1 P28845 2/20 0.40
TSHR P16473 1/20 0.39
CNR1 P21554 2/20 0.39
LMNA P02545 3/20 0.38
TYR P14679 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1305145 0.89 TSHR (0.48) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL197202 0.82 MEN1 (0.62) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1304998 0.82 LMNA (0.50) CYP1A2TSHRLMNAALDH1A1
SCHEMBL2154715 0.81 L3MBTL1 (0.42) NPC1RAB9AMEN1KMT2AHSD11B1
SCHEMBL2974451 0.79 POLB (0.59) POLBSMN1; SMN2NPC1RAB9AMEN1
Carbon Monoxide SCHEMBL10627118 0.78 POLB (0.59) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28443581 0.76 CES2 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5049965 0.75 KIF11 (0.56) POLBSMN1; SMN2NPC1RAB9AMEN1
Formic Acid SCHEMBL31540153 0.74 POLB (0.60) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2154599 0.73 TSHR (0.48) RAB9AMEN1KMT2ACYP1A2TSHR

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
CN-111574564-A Fluoroalkyl-substituted furyl diphosphine oxygen compound and preparation method thereof 南京工业大学 2020-08-25 CN disclosed
CN-111560038-A Fluoroalkyl-substituted furyl monophosphine oxide compound and preparation method thereof 南京工业大学 2020-08-21 CN disclosed