SCHEMBL9727246

SCHEMBL9727246

CCOC(=O)C1CCCCN1C(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
CACNA1A O00555 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNB1 Q02641 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
SCHEMBL9537202 0.84 SOAT2 (0.35) MEN1KMT2A
SCHEMBL9727504 0.81 FKBP1A (0.53) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727522 0.81 FKBP1A (0.50) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727292 0.80 FKBP1A (0.54) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727276 0.79 KMT2A (0.53) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727288 0.79 FKBP1A (0.51) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727245 0.79 FKBP1A (0.51) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727238 0.78 FKBP1A (0.56) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727257 0.77 FKBP1A (0.43) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5717023 0.77 FKBP1A (0.52) FKBP1AALDH1A1KDM4EMEN1KMT2A

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