SCHEMBL19423749

SCHEMBL19423749

CC(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.55
▸ PTPN1 P18031 8/20 0.53
▸ GRB2 P62993 1/20 0.47
▸ CTSL P07711 1/20 0.46

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
SCHEMBL31566096 0.92 TLR2 (0.55) TLR2PTPN1
SCHEMBL20758974 0.92 TLR2 (0.55) TLR2PTPN1
SCHEMBL20758846 0.92 TLR2 (0.55) TLR2PTPN1
SCHEMBL20759079 0.92 TLR2 (0.55) TLR2PTPN1
SCHEMBL30193301 0.91 TLR2 (0.53) TLR2PTPN1CTSL
SCHEMBL30150290 0.91 TLR2 (0.53) TLR2PTPN1CTSL
SCHEMBL30598967 0.91 TLR2 (0.55) TLR2PTPN1
SCHEMBL14374768 0.90 PTPN1 (0.55) TLR2PTPN1GRB2CTSL
SCHEMBL31138058 0.89 PTPN1 (0.57) TLR2PTPN1GRB2
SCHEMBL8371529 0.88 TLR2 (0.51) TLR2PTPN1CTSL

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
WO-2017172881-A1 THERMOGENIC COMPOSITIONS AND METHODS OHIO STATE INNOVATION FOUNDATION (US) 2017-10-05 — — WO disclosed
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