SCHEMBL9734688

SCHEMBL9734688

CC(=O)Oc1cc([CH]C(=O)O)cc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46
TOP1 P11387 3/20 0.46
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 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
SCHEMBL16692736 0.82 KDM4E (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2939004 0.81 FNTA (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9360546 0.80 ALDH1A1 (0.56) MAPK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8830854 0.79 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1089019 0.79 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL717233 0.77 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL717232 0.77 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL715257 0.75 KDM4E (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10149330 0.75 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.75 KDM4E (0.63) TOP1MAPK1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP claimed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US claimed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP claimed
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP disclosed
US-4988687-A Thiazoleoxyimineacetamido carboxymethylpyridinium derivatives of cephalosporins BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-29 US disclosed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP disclosed