SCHEMBL9465736

SCHEMBL9465736

C=CC(C(C)(C)C)C(C)(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL6482999 0.75 TSHR (0.36) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL19285040 0.73 TSHR (0.35) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL2291884 0.73 TSHR (0.35) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL19285495 0.73 TSHR (0.35) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL28418416 0.71 TSHR (0.33) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL9655752 0.70 TSHR (0.34) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL11360367 0.67 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL9656014 0.67 SLC6A3 (0.38) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL28300968 0.66 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL98442 0.65 TSHR (0.33) TSHRALDH1A1SLC6A2SLC6A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194549-A Polypropylene substrate with polymer coating with olefin, acrylic and copolyene monomers ICI RESINS BV (NL) 1993-03-16 US claimed
EP-0468644-A1 Coating composition and polymer for use therein ZENECA RESINS BV (NL) 1992-01-29 EP claimed
US-5194549-A Polypropylene substrate with polymer coating with olefin, acrylic and copolyene monomers ICI RESINS BV (NL) 1993-03-16 US disclosed
EP-0468644-A1 Coating composition and polymer for use therein ZENECA RESINS BV (NL) 1992-01-29 EP disclosed