SCHEMBL13843604

SCHEMBL13843604

Cc1ccc(-c2ccc(C(=O)OCC(O)CO)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.62
▸ ADRB1 P08588 14/20 0.62
▸ ADRB3 P13945 14/20 0.62
▸ SLC1A5 Q15758 1/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL207184 0.95 ADRB2 (0.68) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL9463876 0.87 ADRB2 (0.73) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4983780 0.87 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL6917173 0.82 MAPT (0.53) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL20306721 0.82 ADRB2 (0.59) ADRB2ADRB1ADRB3SLC1A5RAB9A
SCHEMBL22340408 0.81 ADRB2 (0.58) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2788016 0.80 MAPT (0.58) ADRB2ADRB1ADRB3SLC1A5ALDH1A1
SCHEMBL11470348 0.80 ADRB2 (0.65) ADRB2ADRB1ADRB3RAB9AALDH1A1
SCHEMBL13291799 0.80 TDP1 (0.53) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL18124421 0.80 ALDH1A1 (0.67) ADRB2ADRB1ADRB3RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534474-B2 Multireactive polymerizable mesogenic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-05-19 — — US disclosed
US-20070009675-A1 Multireactive polymerizable mesogenic compounds FARRAND LOUISE 2007-01-11 — — US disclosed
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