SCHEMBL4412155

SCHEMBL4412155

CCCCCCc1nnnn1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CETP P11597 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
SCHEMBL4403901 0.98 ALDH1A1 (0.36) CYP19A1ALDH1A1LMNATSHRNPC1
SCHEMBL4408338 0.92 ALDH1A1 (0.41) ALDH1A1LMNAKCNH2
SCHEMBL4414869 0.84
SCHEMBL4671811 0.79 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL20963387 0.78 ALDH1A1 (0.40) CYP19A1ALDH1A1LMNATSHRKCNH2
SCHEMBL4409273 0.78 ALDH1A1 (0.40) CYP19A1ALDH1A1LMNATSHRKCNH2
SCHEMBL4405268 0.77 ALDH1A1 (0.35) CYP19A1ALDH1A1LMNATSHRKCNH2
SCHEMBL9655558 0.77 ALDH1A1 (0.42) CYP19A1ALDH1A1LMNATSHRKCNH2
SCHEMBL4409151 0.77 ALDH1A1 (0.40) CYP19A1ALDH1A1LMNATSHR
SCHEMBL27515266 0.77 ALDH1A1 (0.42) CYP19A1ALDH1A1LMNATSHRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed