SCHEMBL12110802

SCHEMBL12110802

Nc1ccc(CCCCCc2ccc(Oc3ccc(N)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
MAOB P27338 4/20 0.59
GFER P55789 2/20 0.54
MAOA P21397 3/20 0.52
MAPT P10636 3/20 0.50
TEAD4 Q15561 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
NLRP1 Q9C000 1/20 0.48
NOD2 Q9HC29 1/20 0.48
CYP19A1 P11511 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12110687 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL12110699 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL12110696 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL6394679 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL6363455 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL10698457 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL6362252 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL12110715 0.98 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL1857603 0.98 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL712164 0.93 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4TSHRMAOB

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-8053041-B2 Overcoat film composition, color filter substrate, and liquid crystal display element JNC CORPORATION (JP) 2011-11-08 US disclosed
US-20080167429-A1 Nanoimprinting composition CHISSO CORPORATION 2008-07-10 US disclosed
US-20080003381-A1 Overcoat film composition, color filter substrate, and liquid crystal display element CHISSO CORPORATION 2008-01-03 US disclosed