SCHEMBL10593418

SCHEMBL10593418

CCOC(=O)OC(C)OC(=O)c1ccccc1Nc1cccc(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PTGS2 P35354 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ DHFR P00374 1/20 0.53
▸ MPO P05164 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ HIF1A Q16665 1/20 0.53

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
Hydrochloric Acid SCHEMBL2584594 0.80 LMNA (0.54) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL4427772 0.80 LMNA (0.54) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL10592753 0.78 LMNA (0.57) LMNAMPOCYP1A2CYP2C9AKR1C3
Acetic Acid SCHEMBL28343506 0.77 LMNA (0.54) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL11521216 0.77 LMNA (0.53) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL30593451 0.77 PTGS2 (0.71) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL11344390 0.77 PTGS2 (0.71) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL6355036 0.76 SMN1; SMN2 (0.51) CYP3A4MEN1KMT2APTGS2LMNA
SCHEMBL10781222 0.76 TSHR (0.49) MEN1KMT2ALMNATDP1CDC25B
SCHEMBL9797153 0.75 MEN1 (0.57) CYP3A4MEN1KMT2APTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851426-A PRODRUGS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1989-07-25 — — US claimed
EP-0112130-B1 ETHOXYCARBONYLOXY ETHYL ESTERS OF NON-STEROIDAL ANTI-INFLAMMATORY CARBOXYLIC ACIDS, THEIR PREPARATION AND USE Teva Pharmaceutical Industries Limited (IL) 1987-03-04 — — EP claimed
EP-0112130-A1 Ethoxycarbonyloxy ethyl esters of non-steroidal anti-inflammatory carboxylic acids, their preparation and use Teva Pharmaceutical Industries Limited (IL) 1984-06-27 — — EP claimed
US-4851426-A PRODRUGS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1989-07-25 — — US disclosed
EP-0112130-B1 ETHOXYCARBONYLOXY ETHYL ESTERS OF NON-STEROIDAL ANTI-INFLAMMATORY CARBOXYLIC ACIDS, THEIR PREPARATION AND USE Teva Pharmaceutical Industries Limited (IL) 1987-03-04 — — EP disclosed
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