SCHEMBL8433161

SCHEMBL8433161

CCOC(=O)C(=O)CSc1ccc(Br)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
PLIN1 O60240 1/20 0.37
POLB P06746 1/20 0.37
PLIN5 Q00G26 1/20 0.37
KMT2A Q03164 1/20 0.37
ABHD5 Q8WTS1 1/20 0.37

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
SCHEMBL16492198 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL16492192 0.80 GRK6 (0.49) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL1324549 0.76 MTNR1B (0.51) ALDH1A1L3MBTL1
SCHEMBL15793918 0.75 AR (0.44) ALDH1A1MAPTL3MBTL1POLB
SCHEMBL30602475 0.75 AR (0.44) ALDH1A1MAPTL3MBTL1POLB
SCHEMBL28754525 0.75 GAA (0.54) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL27618571 0.73 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7329978 0.72 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTLMNAPKM
SCHEMBL1326178 0.72 LMNA (0.44) SMN1; SMN2ALDH1A1MAPTLMNAPKM
SCHEMBL11434557 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922733-A ADMINISTERING TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY, DEPRESSION, EPILEPSY, OBSESSIVE COMPULSIVE DISORDERS, ANOREXIA, BULIMIA AND ALZHEIMER'S DISEASE SMITHKLINE BEECHAM P.L.C. (GB) 1999-07-13 US disclosed
EP-0770076-A1 BENZOCONDENSED FIVE MEMBERED HETEROCYCLE CARBOXAMIDES AS 5HT2B/2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-05-02 EP disclosed
WO-1996002537-A1 BENZOCONDENSED FIVE MEMBERED HETEROCYCLE CARBOXAMIDES AS 5HT2B/2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-02-01 WO disclosed