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SCHEMBL6460085

SCHEMBL6460085

Cc1cc(C)c([C](c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FFAR4 Q5NUL3 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
SCHEMBL17295886 0.98 CES2 (0.41) KMT2ACES2CES1CYP1A2CYP2A6
SCHEMBL6457904 0.82 LMNA (0.38) KMT2ACES2CES1MEN1LMNA
SCHEMBL50648 0.80 KMT2A (0.56) KMT2ACES2CES1MEN1LMNA
SCHEMBL2722492 0.80 KMT2A (0.39) KMT2ACES2CES1CYP1A2CYP2A6
Benzophenone SCHEMBL3324674 0.78 ALDH1A1 (0.58) KMT2ACES2CES1MEN1LMNA
SCHEMBL31220878 0.78 KMT2A (0.54) KMT2ACES2CES1MEN1LMNA
Lithium SCHEMBL30994890 0.78 KMT2A (0.54) KMT2ACES2CES1MEN1LMNA
SCHEMBL28867988 0.78 KMT2A (0.54) KMT2ACES2CES1MEN1LMNA
Bicarbonate SCHEMBL15643478 0.78 KMT2A (0.54) KMT2ACES2CES1MEN1LMNA
SCHEMBL29227877 0.78 KMT2A (0.54) KMT2ACES2CES1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900280-B2 Acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-31 — — US disclosed
US-20040072978-A1 Compositions of acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. 2004-04-15 — — US disclosed
EP-1392736-A2 ACID MACROMONOMERS AND THEIR METHOD OF PREPARATION Ciba SC Holding AG (CH) 2004-03-03 — — EP disclosed
US-6576684-B1 Ammonium, phosphonium or sulfonium containing oligomers or polymers; controlled molecular weight, low polydispersity and a vinyl or dienyl end group; polymeric precursors and addi-tives CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-10 — — US disclosed
US-6489374-B1 ORGANONITROGEN COMPOUNDS THAT YIELD AMINES, IMINES OR AMIDINES WHEN EXPOSED TO VISIBLE OR ULTRAVIOLET RADIATION; POLYMERIZATION CATALYSTS USED IN ONE-POT SYSTEMS HAVING STORAGE STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-03 — — US disclosed
EP-1105368-B1 PHOTOACTIVATABLE BASES CONTAINING NITROGEN CIBA SC HOLDING AG (CH) 2002-10-30 — — EP disclosed
WO-2002079271-A2 ACID MACROMONOMERS AND THEIR METHOD OF PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 — — WO disclosed
EP-1112288-A1 THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT Ciba SC Holding AG (CH) 2001-07-04 — — EP disclosed
EP-1105368-A1 PHOTOACTIVATABLE BASES CONTAINING NITROGEN Ciba SC Holding AG (CH) 2001-06-13 — — EP disclosed
WO-2000010964-A1 PHOTOACTIVATABLE BASES CONTAINING NITROGEN CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-02 — — WO disclosed
WO-2000011041-A1 THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-02 — — WO disclosed