SCHEMBL8875871

SCHEMBL8875871

CCOC(=O)C1CC(OC)CN1C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
P2RX7 Q99572 5/20 0.39
HTT P42858 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL8877593 0.88 TSHR (0.42) TSHRMAPK1RECQLKMT2ADPP4
SCHEMBL8877689 0.88 TSHR (0.42) TSHRMAPK1RECQLKMT2ADPP4
SCHEMBL8878241 0.86 KMT2A (0.38) TSHRMAPK1RECQLKMT2ADPP4
SCHEMBL8317634 0.84 KMT2A (0.40) TSHRRECQLKMT2ADPP4P2RX7
SCHEMBL8876826 0.83 TSHR (0.46) TSHRMAPK1RECQLKMT2ADPP4
SCHEMBL8877111 0.83 ALDH1A1 (0.37) TSHRKMT2AP2RX7LMNASMN1; SMN2
SCHEMBL8875647 0.82 TSHR (0.45) TSHRMAPK1RECQLKMT2AP2RX7
SCHEMBL8875704 0.81 KMT2A (0.49) TSHRKMT2AHTTLMNASMN1; SMN2
SCHEMBL9727236 0.80 TSHR (0.57) TSHRMAPK1RECQLKMT2AP2RX7
SCHEMBL9724043 0.80 TSHR (0.42) TSHRMAPK1RECQLKMT2ADPP4

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-5693663-A PESTICIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585384-A 1-OXY-FUNCTIONAL GROUP-2-ALKYLARYL-3-OXO-PYRROLIZINES; INSECTICIDES; NEMATOCIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5288874-A Insecticides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 US disclosed