SCHEMBL9906218

SCHEMBL9906218

N[C@@H]1C(CCCCC(=O)NCCCCCNC(=O)CCCCCCCCCCSC(C(=O)NCCNC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c2ccccc2)SC[C@@H]1NC=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.47
▸ ALB P02768 2/20 0.47
▸ SLC5A2 P31639 2/20 0.47
▸ AVPR2 P30518 1/20 0.44
▸ OXTR P30559 1/20 0.44
▸ AVPR1A P37288 1/20 0.44
▸ HTRA2 O43464 8/20 0.43
▸ HTRA1 Q92743 8/20 0.43
▸ ESR1 P03372 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL13780484 0.98 FOLH1 (0.47) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL13678657 0.94 FOLH1 (0.46) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL13678652 0.91 CA9 (0.43) FOLH1ALBSLC5A2CA9
SCHEMBL13678641 0.87 ALB (0.48) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL18699631 0.85 ALB (0.56) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL9906264 0.85 ALB (0.48) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL14140516 0.84 HTRA2 (0.38) FOLH1ALBSLC5A2HTRA2HTRA1
SCHEMBL1688103 0.83 FOLH1 (0.55) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL9906263 0.82 FOLH1 (0.46) FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL14426891 0.81 HTRA2 (0.43) FOLH1ALBSLC5A2AVPR2OXTR

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
US-8198031-B2 Using epidermal growth factor receptor complexes to diagnose and prognose health in cancer patients; drug screening MONOGRAM BIOSCIENCES, INC. (US) 2012-06-12 — — US disclosed
US-20080233602-A1 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. 2008-09-25 — — US disclosed
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