SCHEMBL9727236

SCHEMBL9727236

CCOC(=O)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 6/20 0.48
FKBP1A P62942 2/20 0.46
P2RX7 Q99572 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9727445 0.89 TSHR (0.55) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL9727271 0.85 ALDH1A1 (0.61) KMT2ASIGMAR1ALDH1A1P2RX7
SCHEMBL9727276 0.85 KMT2A (0.53) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL8875647 0.85 TSHR (0.45) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL8876826 0.84 TSHR (0.46) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL9538321 0.84 SIGMAR1 (0.49) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL8877185 0.83 ALDH1A1 (0.47) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL9727473 0.82 FKBP1A (0.47) TSHRMAPK1RECQLKMT2AMEN1
SCHEMBL8876049 0.82 TSHR (0.48) TSHRMAPK1RECQLKMT2ASIGMAR1
SCHEMBL9727455 0.81 KMT2A (0.55) TSHRMAPK1RECQLKMT2AMEN1

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