SCHEMBL9068549

SCHEMBL9068549

Cc1ccc([C@H](CCl)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL9068550 1.00 POLB (0.57) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL11754467 0.86 ALDH1A1 (0.50) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL22035957 0.83 POLB (0.56) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL1533473 0.82 POLB (0.55) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL25248841 0.82 POLB (0.54) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9231726 0.82 POLB (0.56) POLBLMNAGAAMEN1KMT2A
SCHEMBL510548 0.82 ALDH1A1 (0.56) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL7040363 0.82 ESR1 (0.47) POLBALDH1A1LMNAL3MBTL1GAA
SCHEMBL7705115 0.82 ALDH1A1 (0.56) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL305061 0.81 CYP2C19 (0.57) POLBSMN1; SMN2ALDH1A1LMNAGAA

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-5587510-A ASYMMETRICAL HYDROGENATION USING RUTHENIUM-PHOPSHINE COMPLEX AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-24 US disclosed