SCHEMBL8019383

SCHEMBL8019383

COc1ccc(C(CCCCCOB(O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.50
KCNH2 Q12809 1/20 0.50
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ENPP2 Q13822 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AOC3 Q16853 1/20 0.35
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33

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
SCHEMBL8018673 1.00 KIF11 (0.50) KIF11KCNH2CA1CA2ENPP2
SCHEMBL6933766 0.98 KIF11 (0.51) KIF11KCNH2CA1CA2ENPP2
SCHEMBL5528724 0.94 KIF11 (0.53) KIF11KCNH2CA1CA2ENPP2
SCHEMBL25409958 0.84 HDAC3 (0.36) KIF11KCNH2LMNAAOC3HDAC3
SCHEMBL8018581 0.83 KIF11 (0.40) KIF11KCNH2ENPP2ALDH1A1LMNA
SCHEMBL8016544 0.81 HDAC3 (0.34) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL25406909 0.81 TRPV6 (0.39) KIF11KCNH2CA1CA2LMNA
Tetramethylammonium Ion SCHEMBL2850968 0.81 KIF11 (0.47) KIF11KCNH2CA1CA2NPC1
SCHEMBL6927526 0.81 KIF11 (0.40) KIF11KCNH2NPC1RAB9ALMNA
Tetramethylammonium Ion SCHEMBL8006465 0.81 KIF11 (0.47) KIF11KCNH2CA1CA2NPC1

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
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed
US-6090865-A PHOTOINITIATOR SYSTEM COMPRISING (A) AT LEAST ONE O-ALKYLATED AROMATIC NITROGEN-HETEROCYCLE AMINE OXIDE CATION SALT AND (B) AT LEAST ONE ELECTRON DONOR COMPOUND. CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-18 US disclosed
EP-0896587-A1 POLYMERISABLE COMPOSITION Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
WO-1997042227-A1 POLYMERISABLE COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-13 WO disclosed