SCHEMBL8887243

SCHEMBL8887243

[CH2]C(CC)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
APP P05067 1/20 0.39
LMNA P02545 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL11305741 0.85 NPC1 (0.50) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL21654186 0.80 MAPT (0.44) MAPTALDH1A1MAPK1RAB9ANPC1
SCHEMBL24107099 0.78 NR1H4 (0.44) MAPTALDH1A1MAPK1RAB9ANPC1
SCHEMBL8886735 0.78 ACHE (0.41) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL10591101 0.77 NR1H4 (0.43) MAPTALDH1A1MAPK1RAB9ANPC1
SCHEMBL8886871 0.76 LDHA (0.42) MAPTALDH1A1MAPK1RAB9ANPC1
SCHEMBL8890078 0.76 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL8995789 0.76 PPARA (0.40) TSHRL3MBTL1POLB
SCHEMBL28306045 0.76 LTA4H (0.44) MAPTLMNATDP1ALOX15
SCHEMBL25331886 0.75 SLC6A4 (0.39) MAPTALDH1A1LMNATSHRKDM4E

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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed