SCHEMBL17029467

SCHEMBL17029467

NCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.53
▸ ITGA2B P08514 2/20 0.53
▸ PTPN1 P18031 3/20 0.51
▸ CHRND Q07001 4/20 0.48
▸ CHRNA1 P02708 3/20 0.48
▸ CHRNG P07510 3/20 0.48
▸ CHRNB1 P11230 3/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ GRIA1 P42261 1/20 0.47
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL25874361 0.84 MMP2 (0.56) CHRNDCHRNA1CHRNGCHRNB1MMP2
SCHEMBL38659045 0.84 CHRND (0.59) CHRNDCHRNA1CHRNGCHRNB1MMP2
SCHEMBL29313314 0.83 QRFPR (0.49) —
SCHEMBL29313281 0.83 QRFPR (0.49) —
SCHEMBL16485208 0.82 MMP2 (0.60) ITGB3ITGA2BCHRNDCHRNA1CHRNG
SCHEMBL27273355 0.82 QRFPR (0.48) —
SCHEMBL17029441 0.81 ITGB3 (0.45) ITGB3ITGA2BPTPN1GRIA1
SCHEMBL17128773 0.81 CHRNB2 (0.56) ITGB3ITGA2BCHRNDCHRNA1CHRNG
SCHEMBL16485202 0.81 CHRNB2 (0.56) ITGB3ITGA2BCHRNDCHRNA1CHRNG
SCHEMBL17029474 0.81 CHRNB2 (0.54) ITGB3ITGA2BCHRNDCHRNA1CHRNG

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
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 — — EP disclosed
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