SCHEMBL9727550

SCHEMBL9727550

CCOC(=O)C1CCCCN1C(=O)Cc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL9727473 0.88 FKBP1A (0.47) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9727238 0.86 FKBP1A (0.56) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727490 0.84 FKBP1A (0.50) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9535404 0.84 MEN1 (0.38) FKBP1AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL9727454 0.80 FKBP1A (0.48) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9727236 0.80 TSHR (0.57) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9727445 0.78 TSHR (0.55) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9727504 0.78 FKBP1A (0.53) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9727522 0.78 FKBP1A (0.50) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9727263 0.77 ALDH1A1 (0.48) FKBP1AALDH1A1KDM4ESMN1; SMN2TSHR

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