SCHEMBL8625512

SCHEMBL8625512

CCOC(=O)C(O)C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TRPA1 O75762 2/20 0.50
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
PIN1 Q13526 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CAD P27708 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1249258 0.80 ALDH1A1 (0.53) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL6561755 0.79 ALDH1A1 (0.42) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL6416807 0.77 ALOX15 (0.42) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL2553362 0.77 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL6297049 0.77 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL15437255 0.76 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL15437483 0.74 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL6667841 0.73 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL903306 0.73 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL7986916 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed