SCHEMBL9727276

SCHEMBL9727276

CCOC(=O)C1CCCCN1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
FKBP1A P62942 2/20 0.48
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL9727455 0.88 KMT2A (0.55) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9727534 0.88 ALDH1A1 (0.54) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9727236 0.85 TSHR (0.57) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9727572 0.85 KMT2A (0.49) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9727467 0.84 ALDH1A1 (0.55) MAPK1FKBP1AALDH1A1SMN1; SMN2POLB
SCHEMBL8874911 0.84 KMT2A (0.41) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9727522 0.83 FKBP1A (0.50) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9727504 0.83 FKBP1A (0.53) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL8876152 0.83 KMT2A (0.40) KMT2AMEN1TSHRMAPK1RECQL
SCHEMBL9539327 0.83 OPRK1 (0.42) KMT2AMEN1TSHRSMN1; 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