SCHEMBL11201178

SCHEMBL11201178

COc1cc(C2SCC(C(=O)O)N2C[C@H](C)C(=O)SSC(=O)[C@@H](C)CN2C(C(=O)O)CSC2c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.42
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ QDPR P09417 2/20 0.38
▸ FFAR2 O15552 3/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL11199610 0.87 TUBB4A (0.38) GAAPOLBRAB9AATMFFAR2
SCHEMBL11184581 0.82 POLB (0.40) GAAPOLBRAB9AFFAR2
SCHEMBL11263001 0.81 POLB (0.40) GAAPOLBRAB9AFFAR2KDM4E
SCHEMBL11202283 0.79 POLB (0.38) GAAPOLBRAB9AFFAR2KDM4E
SCHEMBL11201160 0.78 GAA (0.47) GAAPOLBRAB9ATSHRQDPR
SCHEMBL11219804 0.78 ACE (0.36) POLBFFAR2
SCHEMBL11194045 0.77 ACE (0.51) POLBFFAR2
SCHEMBL11109577 0.77 GAA (0.47) GAAPOLBRAB9ATSHRFFAR2
SCHEMBL11189268 0.77 ALDH1A1 (0.44) POLBKDM4E
SCHEMBL11199916 0.76 SMN1; SMN2 (0.44) GAAPOLBRAB9AKDM4E

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
Send feedback