SCHEMBL2687906

SCHEMBL2687906

CN1C(C)(C)CC(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1A O00555 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNB1 Q02641 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL7030387 0.80 IDH1 (0.35) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL1768973 0.78 HMGCR (0.36) ALDH1A1GAATDP1KDM4EMAPT
SCHEMBL465622 0.77 ALDH1A1 (0.40) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL15951766 0.77 ALDH1A1 (0.37) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL2024345 0.76 CACNA1A (0.39) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL28556085 0.75 ALDH1A1 (0.43) ALDH1A1GAATDP1KDM4EMAPT
SCHEMBL1892399 0.73 HMGCR (0.34) ALDH1A1GAAKDM4EMAPTPKM
SCHEMBL314423 0.73 HIF1A (0.43) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL9626834 0.73 ALDH1A1 (0.39) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL1345179 0.73 IDH1 (0.33) CACNA1ACACNA2D1CACNB1GAALMNA

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-8721946-B2 Low-sticky additive package for automotive interior applications BOREALIS AG (AT) 2014-05-13 US disclosed
US-20120115995-A1 AUTOMOTIVE INTERIOR ARTICLE WITH REDUCED SMELL BOREALIS AG (AT) 2012-05-10 US disclosed
US-20100286310-A1 LOW-STICKY ADDITIVE PACKAGE FOR AUTOMOTIVE INTERIOR APPLICATIONS BOREALIS AG (AT) 2010-11-11 US disclosed