SCHEMBL8130992

SCHEMBL8130992

CCC(NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PSMB5 P28074 1/20 0.51
ALDH1A1 P00352 1/20 0.50
EPHX2 P34913 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALPL P05186 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
ACACB O00763 1/20 0.48
OPRK1 P41145 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL31445160 1.00 KDM4E (0.52) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL27900720 0.86 PTGS2 (0.51) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL12984806 0.86 PTGS2 (0.51) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL2331560 0.85 PSMB5 (0.49) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL25657551 0.85 SMN1; SMN2 (0.50) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL27883399 0.85 EPHX2 (0.50) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL8861463 0.85 EPHX2 (0.50) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL12983786 0.85 KDM4E (0.50) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL12983738 0.84 KDM4E (0.52) KDM4EHTTLMNAL3MBTL1PSMB5
SCHEMBL28495150 0.84 SMN1; SMN2 (0.52) KDM4EHTTLMNAL3MBTL1PSMB5

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-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
US-5756650-A COMPOSITION COMPRISING POLYAMIC ACID, CURE ACCELERATOR SELECTED FROM GROUP CONSISTING OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AMINO ACID COMPOUND, AROMATIC COMPOUND HAVING TWO OR MORE HYDROXYL GROUPS KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-26 US disclosed