SCHEMBL6781009

SCHEMBL6781009

CON=C(C(=O)OC)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8022234 0.84 POLB (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL31264414 0.84 POLB (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL29172895 0.84 TDP1 (0.52) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL6790091 0.84 HPGD (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL9659551 0.84 CA1 (0.52) HIF1AALDH1A1MEN1KMT2AHPGD
SCHEMBL9043211 0.84 CA1 (0.52) HIF1AALDH1A1MEN1KMT2AHPGD
SCHEMBL28845729 0.84 TDP1 (0.52) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL8022236 0.84 POLB (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL6700689 0.84 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL9043204 0.84 CA1 (0.52) HIF1AALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730705-B1 USE AS AGENTS FOR COMBATING PESTS BAYER AKTIENGESELLSCHAFT (DE) 2004-05-04 US disclosed
CN-1082945-C Alkoximino acetamide BAYER AG (DE) 2002-04-17 CN disclosed
US-6130251-A USE AS AGENTS FOR COMBATING PESTS. BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
CN-1169716-A Alkoximino acetamide BAYER AG (DE) 1998-01-07 CN disclosed