SCHEMBL6251201

SCHEMBL6251201

C=CCN1C(=O)C(B(O)O)C(CC=C)(CC=C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.43
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 6/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ CDYL2 Q8N8U2 1/20 0.39
▸ CDYL Q9Y232 1/20 0.39
▸ CDY1; CDY1B Q9Y6F8 1/20 0.39
▸ GAA P10253 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ ALPL P05186 3/20 0.38
▸ ALPG P10696 3/20 0.38
▸ ALPI P09923 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL6251199 0.67 L3MBTL1 (0.47) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL4565781 0.66 GAA (0.46) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL10565837 0.65 L3MBTL1 (0.58) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL28393168 0.65 L3MBTL1 (0.58) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL25502419 0.65 GAA (0.58) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL9255582 0.65 L3MBTL1 (0.45) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL28227422 0.62 ALDH1A1 (0.45) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL8669241 0.62 ALDH1A1 (0.45) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL12659470 0.62 L3MBTL1 (0.61) ALDH1A1POLBL3MBTL1MAPTTSHR
SCHEMBL7614600 0.62 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354878-B1 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors ALLERGAN INC (US) 2005-11-23 — — EP disclosed
EP-1354878-A2 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors Allergan, Inc. (US) 2003-10-22 — — EP disclosed
EP-1117648-B1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN INC (US) 2003-08-06 — — EP disclosed
US-6048873-A SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-11 — — US disclosed
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