SCHEMBL11216775

SCHEMBL11216775

O=C(O)/C=C\C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 3/20 0.46
CA4 P22748 1/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
MME P08473 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.37
CASP3 P42574 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36

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
SCHEMBL11216780 1.00 GAA (0.50) GAAALDH1A1CA2CA4FNTA
SCHEMBL4572549 1.00 GAA (0.50) GAAALDH1A1CA2CA4FNTA
SCHEMBL4572550 1.00 GAA (0.50) GAAALDH1A1CA2CA4FNTA
SCHEMBL21836735 0.85 ALDH1A1 (0.47) GAAALDH1A1CA2FNTAFNTB
SCHEMBL30023279 0.85 ALDH1A1 (0.47) GAAALDH1A1CA2FNTAFNTB
SCHEMBL20239706 0.82 FNTA (0.48) GAACA2CA4FNTAFNTB
SCHEMBL8269523 0.82 FNTA (0.48) GAACA2CA4FNTAFNTB
SCHEMBL28839062 0.82 FNTA (0.48) GAACA2CA4FNTAFNTB
SCHEMBL14163000 0.81 FNTA (0.47) GAAALDH1A1CA2CA4FNTA
SCHEMBL4572558 0.81 FOLH1 (0.60) GAAALDH1A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443134-A Conjugates of cell binding molecules and camptothecin analogs 杭州多禧生物科技有限公司 2022-12-06 CN disclosed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 CN disclosed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN disclosed
US-4320173-A REINFORCEMENT AND ADHESIVES FOR VULCANIZED PRODUCTS MONSANTO COMPANY (US) 1982-03-16 US disclosed