SCHEMBL9729319

SCHEMBL9729319

COCC(O)(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.46
KCNN4 O15554 4/20 0.43
CYP19A1 P11511 2/20 0.40
KIF11 P52732 1/20 0.37
CHRM2 P08172 1/20 0.37
CCR2 P41597 2/20 0.37
ACHE P22303 1/20 0.36
NR3C2 P08235 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9729514 0.80 LMNA (0.43) CHRM3KIF11CHRM2ACHEEDNRB
SCHEMBL16561969 0.79 CHRM3 (0.49) CHRM3KCNN4CYP19A1KIF11CCR2
SCHEMBL9729433 0.79 CHRM3 (0.46) CHRM3CYP19A1KIF11SMN1; SMN2
SCHEMBL5876465 0.79 KMT2A (0.49) CHRM3KCNN4KIF11CHRM2NR3C2
SCHEMBL5875787 0.77 KMT2A (0.46) KCNN4CYP19A1SMN1; SMN2
SCHEMBL19884937 0.77 SMN1; SMN2 (0.47) CHRM3KCNN4CHRM2SMN1; SMN2
SCHEMBL14415705 0.73 KIF11 (0.49) CHRM3KCNN4CYP19A1KIF11CCR2
SCHEMBL5687838 0.73 CCR2 (0.45) CHRM3KCNN4CYP19A1KIF11CCR2
SCHEMBL24824473 0.72 KCNN4 (0.52) CHRM3KCNN4CYP19A1KIF11ACHE
SCHEMBL22012213 0.72 KCNN4 (0.52) CHRM3KCNN4CYP19A1KIF11ACHE

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
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed