SCHEMBL10536736

SCHEMBL10536736

O=C(O)[C@@H]1C[C@H]1C=C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.42
GABRR2 P28476 1/20 0.36
SLC1A2 P43004 3/20 0.33
LMNA P02545 3/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PMP22 Q01453 2/20 0.33
GRM2 Q14416 2/20 0.33
GRM4 Q14833 2/20 0.33
CYP2C9 P11712 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
APEX1 P27695 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM3 Q14832 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC1A1 P43005 2/20 0.32
CYP2D6 P10635 2/20 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
SCHEMBL3627087 1.00 GABRR1 (0.42) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL4419497 1.00 GABRR1 (0.42) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL4419500 1.00 GABRR1 (0.42) GABRR1GABRR2SLC1A2LMNACYP2C19
Hydrochloric Acid SCHEMBL11127916 0.97 GABRR1 (0.40) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL11126986 0.81
SCHEMBL11457851 0.80 GABRR1 (0.39) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL10589514 0.80 GABRR1 (0.39) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL10068264 0.80 GABRR1 (0.39) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL10038024 0.80 GABRR1 (0.39) GABRR1GABRR2SLC1A2LMNACYP2C19
SCHEMBL9792348 0.80 GABRR1 (0.39) GABRR1GABRR2SLC1A2LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4889872-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-12-26 US disclosed