SCHEMBL4098636

SCHEMBL4098636

Cc1ccc(CO)cc1C.O=[PH](O)O[PH](=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.38
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RIOK2 Q9BVS4 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
Phosphonic Acid SCHEMBL4098634 0.89 S1PR1 (0.41) S1PR1CYP4F2CYP4A11MEN1KMT2A
SCHEMBL4093819 0.84 ALDH1A1 (0.38) MEN1KMT2ALMNAGAAL3MBTL1
SCHEMBL93048 0.82 S1PR1 (0.47) S1PR1CYP4F2CYP4A11MEN1KMT2A
O-Xylene SCHEMBL28790241 0.72 TSHR (0.50) GAANPC1RAB9AALDH1A1SMN1; SMN2
Phosphonic Acid SCHEMBL4093814 0.72 ALDH1A1 (0.38) MEN1KMT2ALMNAGAAL3MBTL1
SCHEMBL10860644 0.72 MEN1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4093583 0.71 ALDH1A1 (0.45) GAANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4093853 0.71 POLB (0.44) KMT2ALMNAGAANPC1RAB9A
Benzyl Alcohol SCHEMBL10856262 0.71 TSHR (0.61) L3MBTL1ALDH1A1
Benzyl Alcohol SCHEMBL10863064 0.69 TSHR (0.58) L3MBTL1ALDH1A1

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
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 — — US disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 — — US disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 — — US disclosed
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