SCHEMBL9450848

SCHEMBL9450848

O=C(O)c1cc(CO)nc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ELANE P08246 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER1 P34995 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
RHEB Q15382 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A2 P31213 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL9450727 0.85 FOLH1 (0.48) FOLH1KDM4EELANEMCL1ALDH1A1
SCHEMBL9450684 0.84 ALDH1A1 (0.54) FOLH1KDM4EELANEMCL1ALDH1A1
SCHEMBL9450746 0.81 FOLH1 (0.45) FOLH1KDM4EELANEMCL1ALDH1A1
SCHEMBL9450663 0.80 TLR9 (0.46) FOLH1KDM4EELANEL3MBTL1PTGER1
SCHEMBL9450749 0.78 ALOX15 (0.46) ELANEMCL1PTGER1MRGPRX4
SCHEMBL24983867 0.72 FOLH1 (0.65) FOLH1KDM4EMCL1ALDH1A1POLB
SCHEMBL30892473 0.72 FOLH1 (0.65) FOLH1KDM4EMCL1ALDH1A1POLB
SCHEMBL10089235 0.71 FOLH1 (0.69) FOLH1KDM4EMCL1ALDH1A1POLB
SCHEMBL28018441 0.71 SRD5A1 (0.58) FOLH1KDM4EELANEALDH1A1MRGPRX4
SCHEMBL28017860 0.71 SRD5A1 (0.58) FOLH1KDM4EELANEALDH1A1MRGPRX4

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-5250691-A Heteroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1993-10-05 US disclosed
EP-0531976-A1 Heteroaryl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1993-03-17 EP disclosed