SCHEMBL9402571

SCHEMBL9402571

CCCCC(CC)COC(=O)NCCOC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
TSHR P16473 2/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
ACHE P22303 8/20 0.47
ALDH1A1 P00352 2/20 0.47
CA2 P00918 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.45
ALOX15 P16050 1/20 0.44
CA1 P00915 1/20 0.42

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
SCHEMBL19681669 0.90 ACHE (0.47) ACHE
SCHEMBL9702525 0.88 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MMP9
SCHEMBL982585 0.86 CYP3A4 (0.57) CYP3A4TSHRATMTDP1MMP9
SCHEMBL8531563 0.85 CYP3A4 (0.55) CYP3A4TSHRATMTDP1MMP9
SCHEMBL10578919 0.85 ACHE (0.51) CYP3A4TSHRATMTDP1MMP9
SCHEMBL28062999 0.83 CYP3A4 (0.60) CYP3A4TSHRATMTDP1MMP9
SCHEMBL15128217 0.82 TSHR (0.70) CYP3A4TSHRATMTDP1MMP9
SCHEMBL15128195 0.82 TSHR (0.48) CYP3A4TSHRATMTDP1MMP9
SCHEMBL10724285 0.82 ACHE (0.55) CYP3A4TSHRATMTDP1MMP9
SCHEMBL12593617 0.81 ACHE (0.58) CYP3A4TSHRATMTDP1MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371271-A Pesticides, fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5260474-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
US-4939170-A Substituted aminophenyl carbamates BAYER AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed