SCHEMBL10404206

SCHEMBL10404206

CCN1CCN(C(=O)NC(C([NH])=O)c2ccc(O)c(O)c2)C(=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ HSD17B10 Q99714 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ YARS1 P54577 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ADRB2 P07550 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32

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
SCHEMBL10817167 0.90 TDP1 (0.40) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL10490774 0.90 YARS1 (0.42) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
Water SCHEMBL10490800 0.89 YARS1 (0.42) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL10770220 0.89 MAPT (0.36) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL8113253 0.87 MAPT (0.43) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL3731768 0.87 MAPT (0.43) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL9814590 0.84 MEN1 (0.38) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL11131885 0.83 MAPT (0.38) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8
SCHEMBL10872357 0.82 KMT2A (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8622217 0.82 POLB (0.35) MAPTSMN1; SMN2PDE3ASLC22A6SLC22A8

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-0308559-A2 Cephalosporins, process for their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1989-03-29 — — EP claimed
EP-0093564-B1 BETA-LACTAM ANTIBIOTICS BEECHAM GROUP PLC (GB) 1987-06-24 — — EP claimed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
Send feedback