SCHEMBL11303206

SCHEMBL11303206

CCCCOC(=O)CN(C(=O)c1cc(C)cc(C(C)CC)c1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ F2 P00734 1/20 0.35
▸ ESR1 P03372 2/20 0.34

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
SCHEMBL11294066 0.83 SMN1; SMN2 (0.41) ESR1
SCHEMBL11213904 0.80 ESR1 (0.42) MEN1KMT2ATDP1ESR1
SCHEMBL11302460 0.79 MEN1 (0.31) MEN1KMT2ATDP1
SCHEMBL11293873 0.78 TAS1R3 (0.38) MEN1KMT2AF2
SCHEMBL11299421 0.77 F2 (0.37) MEN1KMT2ATDP1CNR1CNR2
SCHEMBL11398511 0.77 PLA2G2A (0.44) F2
SCHEMBL11297907 0.76 PHGDH (0.30) —
SCHEMBL11303530 0.76 F2 (0.38) TDP1F2
SCHEMBL11339619 0.73 CNR2 (0.33) CNR1CNR2
SCHEMBL11294344 0.72 CYP4F2 (0.43) —

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-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 — — US disclosed
Send feedback