SCHEMBL2620530

SCHEMBL2620530

CNc1c(C)c(C(C)(C)c2cc(C)c(O)c(NC)c2C)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 5/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CA2 P00918 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ HIF1A Q16665 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SHBG P04278 1/20 0.32
▸ HSPA5 P11021 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ LMNA P02545 2/20 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
SCHEMBL1176930 0.77 CYP1A2 (0.45) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL2620524 0.72 SHBG (0.38) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL2620545 0.72 CYP2C9 (0.41) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL2620532 0.71 ALDH1A1 (0.36) CYP2C9ALDH1A1TYRESR1HSD17B10
SCHEMBL2620523 0.69 CA1 (0.33) CA2CA1
SCHEMBL1826843 0.68 CYP2C9 (0.41) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL8152293 0.68 CYP2C19 (0.46) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL1176653 0.67 ESR1 (0.45) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL18311965 0.66 ALDH1A1 (0.50) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL10127550 0.65 ALOX15 (0.45) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2

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-8530119-B2 Positive photosensitive resin composition, cured film, protective film, interlayer insulating film, and semiconductor device and display element using the same SUMITOMO BAKELITE CO., LTD. (JP) 2013-09-10 — — US disclosed
US-20120100484-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTIVE FILM, INTERLAYER INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY ELEMENT USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2012-04-26 — — US disclosed
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