SCHEMBL8573221

SCHEMBL8573221

CSC1=CC=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC29A1 Q99808 1/20 0.40
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 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
SCHEMBL9038699 0.83 KDM4E (0.46) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9042487 0.80
SCHEMBL9039639 0.79 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9040424 0.78 ESR1 (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9038893 0.78 ESR1 (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9351612 0.74 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL30489617 0.74 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL4245745 0.74 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11374508 0.73 KDM4E (0.61) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL10825350 0.73 KDM4E (0.61) KDM4ELMNAESR1CHRM1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719139-A BACTERICIDES ZENECA LIMITED (GB) 1998-02-17 US disclosed