SCHEMBL8876471

SCHEMBL8876471

CCOC(=O)C1C(C)C(C)C(C)N1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
DRD1 P21728 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALOX15 P16050 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8875458 0.88 KMT2A (0.37) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8879187 0.88 KMT2A (0.38) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8316663 0.81 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8875882 0.81 KMT2A (0.50) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8876339 0.80 KMT2A (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL8874935 0.80 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8879041 0.79 KMT2A (0.53) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8876904 0.77 KMT2A (0.54) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8877073 0.76 KMT2A (0.55) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8875666 0.75 KMT2A (0.52) KMT2ASMN1; SMN2MEN1GAAALDH1A1

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