SCHEMBL7590598

SCHEMBL7590598

C=C(C)c1cccc(C(C)(C)NC(=O)OC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ POLB P06746 1/20 0.52

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
SCHEMBL9041279 0.92 L3MBTL1 (0.57) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL29391640 0.89 HTT (0.55) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL9039714 0.89 L3MBTL1 (0.54) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL9039626 0.88 LMNA (0.55) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL13919893 0.88 SMN1; SMN2 (0.53) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL8534083 0.86 ALDH1A1 (0.64) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL13919888 0.86 ALDH1A1 (0.53) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL9039658 0.86 L3MBTL1 (0.51) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL9239215 0.86 L3MBTL1 (0.54) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL13919871 0.86 L3MBTL1 (0.51) L3MBTL1TSHRHTTMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252212-A1 CROSSLINKING PROCESS 3M Innovative Properties Company (US) 2002-10-30 — — EP disclosed
US-6340719-B1 MELY PROCESSING A POLYMER MIXTURE WITH POLYMERIZATION ETHYLENICALLY POLYMERIZABLE HEAT STABLE BLOCKED ISOCYANATE OR POLYISOCYANATE 3M-INNOVATIVE PROPERTIES COMPANY 2002-01-22 — — US disclosed
WO-2001049767-A1 CROSSLINKING PROCESS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-07-12 — — WO disclosed
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