SCHEMBL29633482

SCHEMBL29633482

O=C(NCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.60
TOP1 P11387 3/20 0.56
TERT O14746 1/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
XDH P47989 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA12 O43570 1/20 0.50
MAPT P10636 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
PTGS2 P35354 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL24440484 1.00 HDAC6 (0.60) HDAC6TOP1TERTKDM4EPOLB
SCHEMBL18619400 0.94 HDAC6 (0.58) HDAC6TOP1TERTKDM4ESMN1; SMN2
SCHEMBL29855708 0.93 HDAC6 (0.53) HDAC6TOP1TERTKDM4EPOLB
SCHEMBL15985355 0.92 HDAC6 (0.51) HDAC6TOP1TERTKDM4EPOLB
SCHEMBL11089847 0.91 CDK1 (0.56) HDAC6TOP1TERTKDM4EPOLB
SCHEMBL9725101 0.90 SMN1; SMN2 (0.68) HDAC6SMN1; SMN2XDHCA2L3MBTL1
SCHEMBL15985356 0.88 XDH (0.52) HDAC6TOP1TERTSMN1; SMN2XDH
SCHEMBL11089138 0.88 POLB (0.56) HDAC6TOP1KDM4EPOLBXDH
SCHEMBL15981343 0.87 ADRB2 (0.51) HDAC6TOP1TERTKDM4EPOLB
SCHEMBL11092370 0.87 HPGD (0.62) HDAC6TOP1TERTKDM4EPOLB

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
EP-4243798-A1 PHARMACOLOGICAL AGENTS FOR TREATING CONDITIONS OF THE EYE Plex Pharmaceuticals, Inc. (US) 2023-09-20 EP disclosed
WO-2022104383-A1 PHARMACOLOGICAL AGENTS FOR TREATING CONDITIONS OF THE EYE PLEX PHARMACEUTICALS, INC. (US) 2022-05-19 WO disclosed