SCHEMBL19720285

SCHEMBL19720285

COC(C)COC(C)COC(C)COC(C)COC(C)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TACR1 P25103 4/20 0.44
SLC1A1 P43005 1/20 0.39
RCE1 Q9Y256 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13535467 1.00 KMT2A (0.50) KMT2ATSHRHTTCA1CA2
SCHEMBL16732414 0.93 KMT2A (0.55) KMT2ATSHRHTTCA1CA2
SCHEMBL3421333 0.93 KMT2A (0.55) KMT2ATSHRHTTCA1CA2
SCHEMBL21540243 0.93 KMT2A (0.55) KMT2ATSHRHTTCA1CA2
SCHEMBL8644381 0.89 TSHR (0.50) KMT2ATSHRHTTCA1CA2
SCHEMBL13535474 0.88 KMT2A (0.44) KMT2ATSHRHTTCA1CA2
SCHEMBL5471268 0.85 TSHR (0.54) KMT2ATSHRHTTCA1CA2
SCHEMBL2781953 0.85 CA1 (0.51) KMT2ATSHRHTTCA1CA2
SCHEMBL872641 0.83 CA1 (0.53) KMT2ATSHRHTTCA1CA2
SCHEMBL12872517 0.82 TSHR (0.50) KMT2ATSHRHTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077056-B1 STYLING COMPOSITION FOR HAIR HENKEL AG & CO KGAA (DE) 2017-12-20 EP disclosed