SCHEMBL11289680

SCHEMBL11289680

C=CC=Cc1ccc(C)c(C=Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
TTR P02766 1/20 0.42
TRPA1 O75762 2/20 0.41
NFE2L2 Q16236 2/20 0.41
MAOB P27338 2/20 0.41
RELA Q04206 2/20 0.41
CHAT P28329 1/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
IP6K1 Q92551 1/20 0.38
KDM4E B2RXH2 2/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP19A1 P11511 2/20 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
SCHEMBL1199056 0.83 TTR (0.47) ALOX5PTGS1PTGS2TTRTRPA1
SCHEMBL4015184 0.81 TUBB1 (0.34) ALOX5PTGS1PTGS2ALDH1A1TUBB1
SCHEMBL28195017 0.80 MAOB (0.62) ALOX5TRPA1NFE2L2MAOBRELA
SCHEMBL6244184 0.78 TP53 (0.39) ALOX5PTGS1PTGS2TRPA1ALDH1A1
SCHEMBL10787485 0.76 MAOB (0.70) ALOX5TRPA1NFE2L2MAOBRELA
SCHEMBL93419 0.76 MAOB (0.68) ALOX5TRPA1NFE2L2MAOBCYP1A2
SCHEMBL4936136 0.76 MAOB (0.68) ALOX5TRPA1NFE2L2MAOBCYP1A2
SCHEMBL33879 0.76 MAOB (0.68) ALOX5TRPA1NFE2L2MAOBCYP1A2
SCHEMBL27481341 0.76 MAOB (0.68) ALOX5TRPA1NFE2L2MAOBCYP1A2
SCHEMBL9474707 0.75 ALOX5 (0.62) ALOX5PTGS1PTGS2TTRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001977-B1 SOLUBLE MULTIFUNCTIONAL LITHIUM CONTAINING INITIATORS AND THEIR USE IN A PROCESS FOR POLYMERISATION THE DOW CHEMICAL COMPANY (US) 1982-02-03 EP disclosed
US-4196154-A Soluble multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1980-04-01 US disclosed
US-4172100-A 1,3-Bis[1-(4-methylphenyl)ethenyl]benzene THE DOW CHEMICAL COMPANY (US) 1979-10-23 US disclosed
US-4172190-A Soluble multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1979-10-23 US disclosed
EP-0001977-A1 Soluble multifunctional lithium containing initiators and their use in a process for polymerisation THE DOW CHEMICAL COMPANY (US) 1979-05-30 EP disclosed