SCHEMBL20320102

SCHEMBL20320102

COc1cc(Br)ccc1C1C(=O)C2C3CCC(O3)[C@H]2C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 2/20 0.35
LPAR1 Q92633 1/20 0.35
PPP1CA P62136 1/20 0.34
ROCK2 O75116 1/20 0.34
MAPT P10636 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21840205 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1GAALPAR1
SCHEMBL21938657 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1GAALPAR1
SCHEMBL21840247 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LPAR1
SCHEMBL20320099 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LPAR1
SCHEMBL20320133 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LPAR1
SCHEMBL21938529 0.81 TLR9 (0.35) KMT2AMEN1GAAPPP1CACA2
SCHEMBL20320246 0.81 TLR9 (0.35) KMT2AMEN1GAAPPP1CACA2
SCHEMBL21840254 0.81 TLR9 (0.35) KMT2AMEN1GAAPPP1CACA2
SCHEMBL20320268 0.81 TLR9 (0.35) KMT2AMEN1GAAPPP1CACA2
SCHEMBL22906305 0.80 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1LPAR1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555102-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-20 EP disclosed
WO-2018114584-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 WO disclosed