SCHEMBL7628994

SCHEMBL7628994

CC(CO)CCCCCCCCCCCCC#CC#CCCCCCCCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 7/20 0.44
▸ PTPN7 P35236 4/20 0.40
▸ SELP P16109 1/20 0.40
▸ MEN1 O00255 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL7622165 1.00 HMGCR (0.44) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL7620562 0.93 HMGCR (0.41) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL7625844 0.93 HMGCR (0.41) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL7626022 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7622725 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7628957 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7625993 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7624132 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7620509 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7619796 0.86 TSHR (0.41) MEN1FAAHTP53CYP1A2CYP3A4

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-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 — — US disclosed
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