SCHEMBL14092890

SCHEMBL14092890

CC(C)(C)c1cc2c(C(C)(C)C)c3cc4ccc(Br)cc4cc3c(C(C)(C)C)c2cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ NCEH1 Q6PIU2 1/20 0.33
▸ LMNA P02545 3/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ ERN1 O75460 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL5010176 0.79 NQO1 (0.39) CYP2A6KDM4EALDH1A1MAPTLMNA
SCHEMBL13726356 0.74 JAK2 (0.33) CYP2A6MEN1ALDH1A1KMT2APTGDR2
SCHEMBL12761337 0.74 JAK2 (0.33) CYP2A6MEN1ALDH1A1KMT2APTGDR2
SCHEMBL5011038 0.72 — —
SCHEMBL12743233 0.69 MEN1 (0.39) CYP2A6MEN1ALDH1A1MAPTKMT2A
SCHEMBL9248443 0.69 PTGDR2 (0.46) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL30874683 0.69 PTGDR2 (0.46) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL31261448 0.69 PTGDR2 (0.36) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL12761336 0.69 CYP2A6 (0.47) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL264003 0.69 CYP2A6 (0.50) CYP2A6KDM4EMEN1ALDH1A1MAPT

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 — — US disclosed
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