SCHEMBL7795835

SCHEMBL7795835

CC(C)=COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TYR P14679 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
NPY5R Q15761 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.40
AOC3 Q16853 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
SCHEMBL20798476 0.88 ESR1 (0.43) MAPTALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4371377 0.84 TTR (0.37) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL10709453 0.82 PTGS1 (0.45) ALDH1A1CA1CA2CA9MAOB
SCHEMBL12853874 0.76 LMNA (0.46) MAPTALDH1A1LMNACA1CA2
SCHEMBL8140565 0.76 MAPT (0.48) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL12853933 0.76 CA1 (0.52) MAPTALDH1A1MAPK1HPGDLMNA
SCHEMBL79678 0.74 CA1 (0.48) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL3786415 0.74 MAPT (0.47) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL11444324 0.74 HPGD (0.39) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL18758165 0.74 MAPT (0.52) MAPTRAB9AALDH1A1MAPK1NPC1

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
EP-0779886-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2001-12-05 EP disclosed