SCHEMBL7303263

SCHEMBL7303263

N[C@@H](Cc1ccc(OP)c(O)c1)C(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.47
▸ ALOX15 P16050 2/20 0.40
▸ SLC7A5 Q01650 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ NR1I2 O75469 1/20 0.34

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
SCHEMBL1070349 0.87 ALOX15 (0.55) TYRALOX15SLC7A5KDM4EUSP2
Hydrochloric Acid SCHEMBL4187656 0.85 SLC7A5 (0.54) TYRALOX15SLC7A5KDM4EUSP2
SCHEMBL7303259 0.85 TYR (0.45) TYRALOX15SLC7A5KDM4EUSP2
SCHEMBL27859073 0.80 TYR (0.58) TYRSLC7A5CYP19A1DPP4
SCHEMBL28703154 0.80 TYR (0.58) TYRSLC7A5CYP19A1DPP4
Hydrochloric Acid SCHEMBL27841331 0.79 TYR (0.57) TYRSLC7A5CYP19A1DPP4
SCHEMBL7295209 0.78 ALOX15 (0.46) ALOX15SLC7A5KDM4EUSP2EGFR
SCHEMBL3941779 0.77 ALOX15 (0.47) TYRALOX15SLC7A5KDM4EUSP2
SCHEMBL3941777 0.77 ALOX15 (0.47) TYRALOX15SLC7A5KDM4EUSP2
SCHEMBL7292930 0.77 ALOX15 (0.44) ALOX15SLC7A5KDM4EUSP2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393781-B1 Dopamine pro-drug ZAMBON SPA (IT) 1995-02-08 — — EP disclosed
US-5073547-A DOPAMINE PRO-DRUG SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-17 — — US disclosed
EP-0393781-A2 Dopamine pro-drug ZAMBON GROUP S.p.A. (IT) 1990-10-24 — — EP disclosed
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