SCHEMBL9744200

SCHEMBL9744200

C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.43
CTSK P43235 8/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1689249 0.89 CA1 (0.52) CA1CA2CA7KMT2ACA12
SCHEMBL23849248 0.89 CA1 (0.52) CA1CA2CA7KMT2ACA12
SCHEMBL23607312 0.89 CA1 (0.52) CA1CA2CA7KMT2ACA12
SCHEMBL6946685 0.89 CA1 (0.45) CA1CA2CA7KMT2ACA12
SCHEMBL241988 0.88 CA14 (0.59) CA1CA2CA7KMT2ACA12
SCHEMBL709981 0.88 CA14 (0.59) CA1CA2CA7KMT2ACA12
SCHEMBL2380555 0.88 CA14 (0.59) CA1CA2CA7KMT2ACA12
Hydrochloric Acid SCHEMBL29367798 0.86 CA14 (0.57) CA1CA2CA7KMT2ACA12
SCHEMBL28851533 0.84 CA1 (0.47) CA1CA2CA7KMT2ACA12
SCHEMBL28207771 0.84 CA1 (0.47) CA1CA2CA7KMT2ACA12

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
CN-118420900-A Multivalent sialic acid polymer and preparation method and application thereof 中国科学院长春应用化学研究所 2024-08-02 CN disclosed
US-5171837-A Treatment of autoimmune diseases KURARAY CO., LTD. (JP) 1992-12-15 US disclosed
EP-0426857-A1 PEPTIDE AND ADSORBENT COMPRISING SAME IMMOBILIZED ON CARRIER KURARAY CO., LTD. (JP) 1991-05-15 EP disclosed