SCHEMBL8154002

SCHEMBL8154002

CN1C(=O)N(CCC(=O)O)C(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.37
APEX1 P27695 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL8639218 0.84 ALDH1A1 (0.47) ALDH1A1PKMKMT2AAPEX1KDM4E
SCHEMBL8166140 0.84 TSHR (0.31)
SCHEMBL14906997 0.76 LMNA (0.31)
SCHEMBL11640530 0.75 ALDH1A1 (0.46) ALDH1A1PKMKMT2AAPEX1KDM4E
SCHEMBL418737 0.74 AR (0.39) ALDH1A1KDM4ESMN1; SMN2AR
SCHEMBL11807016 0.74 PTGS1 (0.41) ALDH1A1PKMKMT2AKDM4EMEN1
SCHEMBL7217086 0.73 GAA (0.38) KMT2AALOX15MEN1SMN1; SMN2
SCHEMBL11801499 0.73 PTGS1 (0.47) ALDH1A1PKMKMT2AMEN1SMN1; SMN2
SCHEMBL8161475 0.72 KMT2A (0.36) ALDH1A1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11600810 0.72 ALDH1A1 (0.41) ALDH1A1PKMKMT2AAPEX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807267-B1 CROSSLINKED POLYMERS CONTAINING URETHANE GROUPS NOVARTIS AG (CH) 2000-03-01 EP disclosed
US-5807927-A POLYVINYL ACETALS MODIFIED BY ISOCYANATO ACRYLATES; CONTACT LENSES CIBA VISION CORPORATION (US) 1998-09-15 US disclosed
EP-0807267-A1 CROSSLINKED POLYMERS CONTAINING URETHANE GROUPS Novartis AG (CH) 1997-11-19 EP disclosed
WO-1996024073-A1 CROSSLINKED POLYMERS CONTAINING URETHANE GROUPS NOVARTIS AG (CH) 1996-08-08 WO disclosed