SCHEMBL11442704

SCHEMBL11442704

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1P(O)O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.73
▸ CTSK P43235 6/20 0.49
▸ CTSL P07711 5/20 0.49
▸ CTSB P07858 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CTSS P25774 4/20 0.49
▸ ELANE P08246 1/20 0.49
▸ ACE P12821 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CAPN1 P07384 1/20 0.47
▸ CCR1 P32246 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL11443862 0.97 PREP (0.68) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL13928470 0.86 PREP (0.74) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL7334484 0.85 PREP (0.72) PREPELANEACEALDH1A1CYP3A4
SCHEMBL22209468 0.85 PREP (0.72) PREPELANEACEALDH1A1CYP3A4
SCHEMBL7871516 0.85 PREP (0.72) PREPELANEACEALDH1A1CYP3A4
SCHEMBL16000756 0.84 PREP (0.71) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL10607790 0.84 PREP (0.71) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL10607793 0.84 PREP (0.71) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL11517511 0.83 PREP (0.70) PREPELANEACEALDH1A1CYP3A4
SCHEMBL22209424 0.83 PREP (0.70) PREPCYP1A2ELANEACEALDH1A1

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
US-4213969-A Phosphonous acid derivatives, processes for their preparation and their use in combatting microorganisms CIBA-GEIGY CORPORATION (US) 1980-07-22 — — US disclosed
EP-0002039-A1 Phosphonous acid derivatives, processes for their preparation and their use in combating microorganisms CIBA-GEIGY AG (CH) 1979-05-30 — — EP disclosed
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