SCHEMBL4093853

SCHEMBL4093853

CNc1ccc(C)c(C)c1.O=[PH](O)O[PH](=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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 SCHEMBL5935310 0.89 POLB (0.50) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2092210 0.80 POLB (0.50) POLBNPC1RAB9AMAPTLMNA
SCHEMBL29606739 0.80 POLB (0.50) POLBNPC1RAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL2867268 0.78 POLB (0.48) POLBNPC1RAB9AMAPTLMNA
SCHEMBL10340488 0.73 TSHR (0.58) POLBNPC1RAB9AMAPTSMN1; SMN2
O-Xylene SCHEMBL28790241 0.72 TSHR (0.50) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL4098636 0.71 S1PR1 (0.38) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9075216 0.70 MDM2 (0.41) RAB9ATSHRRECQLLMNAALDH1A1
SCHEMBL4093819 0.70 ALDH1A1 (0.38) POLBNPC1RAB9AMAPTSMN1; SMN2
P-Xylene SCHEMBL7709714 0.67 ACHE (0.44) SMN1; SMN2TSHRLMNAALDH1A1KMT2A

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