SCHEMBL10918679

SCHEMBL10918679

O=C(CCCCC(=O)OCc1ccccc1)OCCl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
EPHX2 P34913 1/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CDC25B P30305 1/20 0.48
HTT P42858 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
NOTUM Q6P988 1/20 0.45

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
SCHEMBL10918622 0.98 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL7825313 0.97 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL3730231 0.93 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL18673 0.91 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL1363999 0.90 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL2926392 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL28434793 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL4941879 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL20624816 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL118235 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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
EP-0121383-B1 BIS-ESTERS OF DICARBOXYLIC ACIDS WITH AMOXICILLIN AND CERTAIN HYDROXYMETHYLPENICILLANATE 1,1-DIOXIDES PFIZER INC. (US) 1986-05-07 EP disclosed
EP-0083484-B1 1,1-ALKANEDIOL DICARBOXYLATE LINKED ANTIBACTERIAL AGENTS PFIZER INC. (US) 1986-02-19 EP disclosed
EP-0121383-A1 Bis-esters of dicarboxylic acids with amoxicillin and certain hydroxymethylpenicillanate 1,1-dioxides PFIZER INC. (US) 1984-10-10 EP disclosed
US-4462934-A BACTERICIDES FROM PENICILLINS AND PENICILLINASE INHIBITORS PFIZER INC. (US) 1984-07-31 US disclosed
US-4457924-A PENICILLINS, OXAPENICILLINS, BETA-LACTAMASE INHIBITORS PFIZER, INC. (US) 1984-07-03 US disclosed
EP-0083484-A1 1,1-Alkanediol dicarboxylate linked antibacterial agents PFIZER INC. (US) 1983-07-13 EP disclosed