SCHEMBL9727472

SCHEMBL9727472

COC(=O)C1CCCN1C(=O)Cc1c(C)cc(F)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
DPP4 P27487 2/20 0.46
GAA P10253 1/20 0.43
FKBP1A P62942 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
ACE P12821 1/20 0.41
PEPD P12955 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL9727314 0.90 DPP4 (0.49) ALDH1A1DPP4FKBP1ASMN1; SMN2LMNA
SCHEMBL9727465 0.87 DPP4 (0.46) ALDH1A1DPP4GAAFKBP1ASMN1; SMN2
SCHEMBL9727245 0.86 FKBP1A (0.51) ALDH1A1GAAFKBP1ASMN1; SMN2MAPK1
SCHEMBL9535584 0.82 SMN1; SMN2 (0.38) DPP4SMN1; SMN2LMNAPKMCNR1
SCHEMBL9727437 0.80 ALDH1A1 (0.48) ALDH1A1DPP4GAAFKBP1ASMN1; SMN2
SCHEMBL9727467 0.79 ALDH1A1 (0.55) ALDH1A1DPP4FKBP1ASMN1; SMN2LMNA
SCHEMBL30546740 0.77 P2RX7 (0.61) ALDH1A1DPP4GAASMN1; SMN2PKM
SCHEMBL30546762 0.77 P2RX7 (0.61) ALDH1A1DPP4GAASMN1; SMN2PKM
SCHEMBL9727501 0.77 KMT2A (0.58) ALDH1A1GAASMN1; SMN2RAB9APOLB
SCHEMBL9727478 0.77 ALDH1A1 (0.51) ALDH1A1DPP4FKBP1ASMN1; SMN2LMNA

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-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed