SCHEMBL13805741

SCHEMBL13805741

CC=Cc1cc(OC)c(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)c(C)c3)cc2)cc1OCCC(C)CCCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP1A1 P04798 2/20 0.31
▸ CYP1B1 Q16678 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TUBB1 Q9H4B7 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31

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
SCHEMBL13040866 0.95 HMGCR (0.35) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL13805742 0.92 HMGCR (0.33) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL13805733 0.92 HMGCR (0.31) HMGCRCYP3A4
SCHEMBL13805737 0.91 NFE2L2 (0.34) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL13431246 0.91 TUBB1 (0.37) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL13805750 0.90 CYP1A1 (0.35) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1
SCHEMBL14252299 0.90 CYP1A1 (0.35) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1
SCHEMBL13805736 0.89 KDM4E (0.33) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL13805740 0.88 TUBB1 (0.35) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL13040872 0.87 SIGMAR1 (0.34) MAPTHTT

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
US-7550554-B2 Aryl amine polymer, thin film transistor using the new aryl amine polymer, and method of manufacturing the thin film transistor RICOH COMPANY, LTD. (JP) 2009-06-23 — — US disclosed
US-20070092760-A1 NEW ARYL AMINE POLYMER, THIN FILM TRANSISTOR USING THE NEW ARYL AMINE POLYMER, AND METHOD OF MANUFACTURING THE THIN FILM TRANSISTOR SAGISAKA TOSHIYA 2007-04-26 — — US disclosed
US-7166689-B2 Aryl amine polymer, thin film transistor using the aryl amine polymer, and method of manufacturing the thin film transistor RICOH COMPANY, LTD. (JP) 2007-01-23 — — US disclosed
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