SCHEMBL8877801

SCHEMBL8877801

CCOC(=O)C1CC(C)C(C)N1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 2/20 0.33
P2RX7 Q99572 1/20 0.33
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
FKBP1A P62942 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8876261 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8878394 0.85 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8877372 0.84 KMT2A (0.34) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8876270 0.83 KMT2A (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL8877101 0.82 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL8875392 0.81 P2RX7 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL8879041 0.81 KMT2A (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL8317101 0.81 L3MBTL1 (0.33) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8874941 0.81 MEN1 (0.36) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8876027 0.78 POLB (0.36) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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