SCHEMBL8925815

SCHEMBL8925815

O=C(Oc1ccccc1)C1(CCCCCCCCc2ccccc2)CO1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 2/20 0.38
HPGD P15428 1/20 0.38
ALOX5 P09917 1/20 0.38
HDAC2 Q92769 1/20 0.38
FFAR1 O14842 1/20 0.38
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL11203828 0.82 MAPT (0.50) MAPTRXFP1MAPK1HDAC1ALOX5
SCHEMBL11268263 0.82 LMNA (0.58) MAPTABCB11LMNAMAPK1
SCHEMBL11268538 0.82 LMNA (0.58) MAPTABCB11LMNAMAPK1
SCHEMBL11266263 0.82 LMNA (0.58) MAPTABCB11LMNAMAPK1
SCHEMBL11275748 0.82 LMNA (0.58) MAPTABCB11LMNAMAPK1
SCHEMBL11270686 0.80 MAPT (0.49) MAPTRXFP1MAPK1HDAC1ALOX5
SCHEMBL11269898 0.80 LMNA (0.56) MAPTABCB11LMNAMAPK1
SCHEMBL11205171 0.78 HDAC1 (0.49) MAPTRXFP1MAPK1HDAC1ALOX5
SCHEMBL11209645 0.78 MAPT (0.46) MAPTRXFP1MAPK1HDAC1ALOX5
SCHEMBL11271674 0.78 POLB (0.43) MAPTLMNAMAPK1HDAC1HDAC2

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-5693857-A Process and intermediate for the preparation of 2-hydroxy-3-sulfido-3-phenyl propanoic acids SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed