SCHEMBL11276175

SCHEMBL11276175

COC(=O)C(CC=C(Cl)Cl)(c1nc(Oc2ccc(F)cc2)cc2ccccc12)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SCN9A Q15858 9/20 0.32
FPR2 P25090 3/20 0.32
EGFR P00533 1/20 0.32
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DHODH Q02127 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PLA2G10 O15496 1/20 0.31

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
SCHEMBL11274790 0.81 MEN1 (0.39) CACNA1GPOLBATMSCN9AFPR2
SCHEMBL11266024 0.73 ALDH1A1 (0.35) POLBATMLMNAMAPTMEN1
SCHEMBL11276414 0.72 CARM1 (0.36) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL11270606 0.71 MEN1 (0.37) CACNA1GPOLBATMSCN9AFPR2
SCHEMBL11276179 0.71 ESR1 (0.34) SMN1; SMN2POLBLMNAMAPTESR1
SCHEMBL11272945 0.70 ACACB (0.35) SMN1; SMN2LMNAMAPTSCN9AFPR2
SCHEMBL11283398 0.66 TP53 (0.40) SMN1; SMN2POLBATMLMNAMAPT
SCHEMBL11267883 0.64 SCN9A (0.38) POLBATMSCN9AFPR2MEN1
SCHEMBL11271872 0.64 SCN9A (0.36) POLBATMSCN9AFPR2MEN1
SCHEMBL11267834 0.64 SCN9A (0.38) POLBATMSCN9AFPR2MEN1

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed