SCHEMBL9727238

SCHEMBL9727238

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.56
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL9727504 0.90 FKBP1A (0.53) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727245 0.87 FKBP1A (0.51) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727550 0.86 FKBP1A (0.50) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727288 0.85 FKBP1A (0.51) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727522 0.85 FKBP1A (0.50) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9535087 0.83 FKBP1A (0.39) FKBP1ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9727303 0.82 ALDH1A1 (0.48) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9741393 0.82 FKBP1A (0.48) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727292 0.82 FKBP1A (0.54) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727534 0.81 ALDH1A1 (0.54) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD

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