SCHEMBL28117492

SCHEMBL28117492

C=CCc1nc(CC=C)c(CC=C)c(CCCCCC)c1CC=C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ THRA P10827 3/20 0.32
▸ THRB P10828 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ CCR5 P51681 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
SCHEMBL11780808 0.77 DHFR (0.43) TLR8TLR7
SCHEMBL5447243 0.76 NPSR1 (0.34) ALDH1A1NPSR1HPGD
SCHEMBL5138373 0.74 KCNH2 (0.43) TSHRKCNH2GCGRALDH1A1PKM
SCHEMBL17008157 0.71 TSHR (0.57) TSHRCYP19A1KCNH2ALDH1A1THRB
SCHEMBL8636988 0.70 GAA (0.33) TSHRALDH1A1NPSR1TLR8TLR7
SCHEMBL2484848 0.69 ALDH1A1 (0.35) TSHRKCNH2ALDH1A1PKMHPGD
SCHEMBL5814755 0.69 MCL1 (0.36) MCL1ALDH1A1NPSR1TLR8TLR7
SCHEMBL5679424 0.68 TSHR (0.50) TSHRCYP19A1KCNH2ALDH1A1NPSR1
SCHEMBL460363 0.68 IMPDH2 (0.41) TSHRCYP19A1GCGRNPSR1THRA
SCHEMBL11667176 0.68 CYP19A1 (0.50) TSHRCYP19A1ALDH1A1NPSR1HPGD

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
CN-101056675-B Delayed foaming dental mousse and method of using same 高露洁-棕榄公司 2016-12-28 — — CN disclosed
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