SCHEMBL11199594

SCHEMBL11199594

COc1cc(C2SC[C@@H](C(=O)O)N2C(=O)[C@H](C)CSSC[C@@H](C)C(=O)N2C(c3cc(OC)c(OC)c(OC)c3)SC[C@H]2C(=O)O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ FFAR2 O15552 7/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35

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
SCHEMBL11442022 0.91 POLB (0.44) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL11442004 0.91 POLB (0.44) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL11442031 0.91 POLB (0.44) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL11201160 0.87 GAA (0.47) POLBGAARAB9AFFAR2
SCHEMBL11185141 0.83 GAA (0.66) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL11268635 0.82 POLB (0.34) POLBGAARAB9AFFAR2
SCHEMBL11184570 0.81 POLB (0.47) POLBGAARAB9AFFAR2
SCHEMBL11262988 0.79 POLB (0.48) POLBGAARAB9AFFAR2
SCHEMBL11257128 0.77 GAA (0.58) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL11199610 0.77 TUBB4A (0.38) POLBGAARAB9AFFAR2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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