SCHEMBL17755166

SCHEMBL17755166

C=C(C)CC(C)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ AOC3 Q16853 3/20 0.49
▸ CASR P41180 2/20 0.47
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ ABCB11 O95342 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44

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
SCHEMBL17755258 0.87 L3MBTL1 (0.56) L3MBTL1AOC3CASRABCB11TAAR1
SCHEMBL2632814 0.82 CASR (0.51) L3MBTL1AOC3CASRABCB11TAAR1
SCHEMBL11992976 0.82 CASR (0.51) L3MBTL1AOC3CASRABCB11TAAR1
SCHEMBL14162717 0.82 CASR (0.51) L3MBTL1AOC3CASRABCB11TAAR1
SCHEMBL10192231 0.82 CASR (0.51) L3MBTL1AOC3CASRABCB11TAAR1
SCHEMBL12191890 0.82 L3MBTL1 (0.57) L3MBTL1AOC3CASRMTNR1AMTNR1B
SCHEMBL12191891 0.82 L3MBTL1 (0.57) L3MBTL1AOC3CASRMTNR1AMTNR1B
SCHEMBL1206982 0.82 L3MBTL1 (0.57) L3MBTL1AOC3CASRMTNR1AMTNR1B
SCHEMBL17755164 0.81 ALDH1A1 (0.50) L3MBTL1AOC3ABCB11
SCHEMBL24925773 0.81 ABCB11 (0.67) L3MBTL1AOC3CASRMTNR1AMTNR1B

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
WO-2016077240-A2 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC (US) 2016-05-19 — — WO disclosed
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