SCHEMBL10721021

SCHEMBL10721021

CCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ PTGFR P43088 3/20 0.66
▸ TBXA2R P21731 6/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ LMNA P02545 5/20 0.64
▸ PTGER4 P35408 3/20 0.64
▸ SLCO2A1 Q92959 2/20 0.64
▸ PTGER1 P34995 2/20 0.64
▸ PTGER3 P43115 2/20 0.64
▸ PTGDR Q13258 1/20 0.64
▸ PTGDR2 Q9Y5Y4 1/20 0.58
▸ HPGD P15428 4/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ PTGER2 P43116 2/20 0.53
▸ PTGIR P43119 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ ESR1 P03372 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
SCHEMBL25710278 0.99 MEN1 (0.73) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL22168569 0.99 MEN1 (0.73) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL2512105 0.99 MEN1 (0.73) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL2512107 0.99 MEN1 (0.73) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL34165 0.99 MEN1 (0.73) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL24726792 0.99 MEN1 (0.73) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL9037070 0.93 MEN1 (0.65) MEN1KMT2APTGFRTBXA2RALDH1A1
Imidazole SCHEMBL10918367 0.88 MEN1 (0.59) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL1782277 0.86 MEN1 (0.58) MEN1KMT2APTGFRTBXA2RALDH1A1
SCHEMBL24855289 0.86 MEN1 (0.55) MEN1KMT2APTGFRTBXA2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223844-A1 COMPOUNDS AND METHODS USEFUL FOR THE SYNTHESIS OF THROMBOXANE A 2? THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-06-03 — — EP disclosed
WO-1986007058-A1 COMPOUNDS AND METHODS USEFUL FOR THE SYNTHESIS OF THROMBOXANE A2 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1986-12-04 — — WO disclosed
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