SCHEMBL7537233

SCHEMBL7537233

Cc1c(C(C)C)cc(N)c(C(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL6542719 0.84 POLB (0.40) POLBGAAGFER
SCHEMBL29036816 0.81 POLB (0.42) POLBGAAGFERLMNATRPA1
SCHEMBL9064315 0.78 LMNA (0.33) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL11807444 0.76 LMNA (0.34) POLBGAAGFERLMNATRPA1
SCHEMBL29321471 0.76 POLB (0.40) POLBGAAGFER
SCHEMBL25162201 0.74 CYP3A4 (0.40) POLBGAAGFER
SCHEMBL3691524 0.74 GAA (0.38) POLBGAAGFERCA1CA2
SCHEMBL8976031 0.74 GAA (0.38) POLBGAAGFERCA1CA2
SCHEMBL1975537 0.73 LMNA (0.43) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18135464 0.72 GAA (0.46) POLBGAAGFERLMNATRPA1

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
EP-1203999-A2 Photoinitiator comprising a borane and an electron donating compound Ciba SC Holding AG (CH) 2002-05-08 EP disclosed
EP-0775706-A2 Borates photoinitiators from polyboranes Ciba SC Holding AG (CH) 1997-05-28 EP disclosed
US-5230982-A Heterocyclic disulfides for crosslinking THE MEAD CORPORATION (US) 1993-07-27 US disclosed