SCHEMBL20187916

SCHEMBL20187916

C[C@H](NC(N)=O)C(=O)OCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 6/20 0.34
CAD P27708 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
METAP2 P50579 3/20 0.32
METAP1 P53582 3/20 0.32
ALDH1A1 P00352 1/20 0.31
ALPG P10696 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BIRC2 Q13490 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28804446 0.82 EPHX1 (0.49) TSHRACHE
SCHEMBL20188172 0.81 CAD (0.40) TSHRCADNPSR1RAB9AMAPT
SCHEMBL18669008 0.78 ACHE (0.41) TSHRACHENPSR1ALDH1A1
SCHEMBL18669010 0.78 ACHE (0.41) TSHRACHENPSR1ALDH1A1
SCHEMBL27654640 0.76 CAD (0.55) TSHRCADMETAP2METAP1ALDH1A1
SCHEMBL15043976 0.75 CA14 (0.50) TSHRMEN1KMT2ACADMAPT
SCHEMBL10055358 0.75 CA14 (0.50) TSHRMEN1KMT2ACADMAPT
SCHEMBL22822298 0.75 CA14 (0.50) TSHRMEN1KMT2ACADMAPT
SCHEMBL4671001 0.74 ACHE (0.35) ACHEMAPTALDH1A1
SCHEMBL20591068 0.74 CHRNB2 (0.35) ACHEALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544635-A2 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2019-10-02 EP disclosed
CN-110234357-A Contain peptide linker for antibody-drug conjugates 梅尔莎纳医疗公司 2019-09-13 CN disclosed
WO-2018098269-A2 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2018-05-31 WO disclosed