SCHEMBL11573105

SCHEMBL11573105

O=C(O)OOc1ccc(Cl)cc1.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PPARG P37231 5/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ FABP2 P12104 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ CES2 O00748 2/20 0.39
▸ CES1 P23141 2/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27406073 0.81 HPGD (0.46) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL156135 0.78 HPGD (0.47) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL31532258 0.77 MEN1 (0.46) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL11573102 0.77 CA1 (0.48) PPARAMEN1KMT2ACYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL22437492 0.77 HPGD (0.46) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4592607 0.77 ALOX15 (0.44) CYP2D6ALOX15TSHRHPGDSRD5A2
SCHEMBL22468182 0.76 F2 (0.57) MEN1KMT2AMAPTCYP2C19ALOX15
SCHEMBL292790 0.75 ELANE (0.53) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL28392149 0.74 RXRA (0.47) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL1326212 0.74 HPGD (0.43) PPARAMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003275-A1 Aromatic derivatives of phosphonoformic acid, processes for their preparation, pharmaceutical compositions containing them and their use for combating virus infections Astra Läkemedel Aktiebolag (SE) 1979-08-08 — — EP disclosed
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