SCHEMBL9727314

SCHEMBL9727314

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.45
FKBP1A P62942 2/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
ACE P12821 1/20 0.42
OPRM1 P35372 1/20 0.41
NR1I2 O75469 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL9727465 0.92 DPP4 (0.46) DPP4ALDH1A1HPGDFKBP1ALMNA
SCHEMBL9727472 0.90 ALDH1A1 (0.47) DPP4ALDH1A1FKBP1ALMNARAB9A
SCHEMBL9536140 0.85 ALDH1A1 (0.57) DPP4ALDH1A1HPGDLMNACYP3A4
SCHEMBL9727504 0.85 FKBP1A (0.53) ALDH1A1HPGDFKBP1ASMN1; SMN2POLB
SCHEMBL14411087 0.83 ALDH1A1 (0.50) DPP4ALDH1A1FKBP1ALMNARAB9A
SCHEMBL13168009 0.82 ALDH1A1 (0.45) DPP4ALDH1A1HPGDFKBP1ASMN1; SMN2
SCHEMBL3606253 0.82 ALDH1A1 (0.45) DPP4ALDH1A1HPGDFKBP1ASMN1; SMN2
SCHEMBL9727437 0.82 ALDH1A1 (0.48) DPP4ALDH1A1FKBP1ALMNARAB9A
SCHEMBL9727467 0.81 ALDH1A1 (0.55) DPP4ALDH1A1FKBP1ALMNARAB9A
SCHEMBL9535862 0.81 ALDH1A1 (0.39) DPP4ALDH1A1HPGDCYP3A4CYP2D6

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