SCHEMBL13223648

SCHEMBL13223648

CCC(C)(C)c1cc(C)cc(-n2n3c4ccccc4n23)c1O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ HSPA5 P11021 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ F2R P25116 1/20 0.30

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
SCHEMBL9002299 0.86 MAPK1 (0.34) SMN1; SMN2ALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL13245893 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL12733209 0.83 HSPA5 (0.41) SMN1; SMN2HSPA5CYP2C9CYP2C19HIF1A
SCHEMBL14566262 0.82 CA2 (0.35) ALDH1A1CA2
SCHEMBL13652813 0.80 ESR1 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL12774894 0.79 TSHR (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17717937 0.78 NPC1 (0.58) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL12733203 0.77 HSPA5 (0.63) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14607286 0.76 GABRA1 (0.37) ALDH1A1POLBCYP2C19NPC1RAB9A
SCHEMBL13652815 0.76 CYP3A4 (0.34) SMN1; SMN2ALDH1A1CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298455-B2 Alignment material composition and alignment layer AU OPTRONICS CORPORATION (TW) 2012-10-30 — — US disclosed
US-20100213423-A1 ALIGNMENT MATERIAL COMPOSITION AND ALIGNMENT LAYER AU OPTRONICS CORPORATION (TW) 2010-08-26 — — US disclosed
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