SCHEMBL5465756

SCHEMBL5465756

CC(C)(CO)CO.O=C1OC(=O)c2cccc1c2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
Ethylene Glycol SCHEMBL7060627 0.81 MEN1 (0.36) HDAC4HDAC2HDAC8ALDH1A1MAPT
SCHEMBL27505 0.78 ALOX15 (0.43) HDAC4HDAC2HDAC8MAPTMEN1
SCHEMBL21173956 0.76 MEN1 (0.42) HDAC4HDAC2HDAC8MEN1CYP1A2
Phthalic Anhydride SCHEMBL1884820 0.76 TDP1 (0.58) L3MBTL1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL21173954 0.72 CA12 (0.41) HDAC4HDAC2HDAC8ALDH1A1MAPT
Phthalic Anhydride SCHEMBL28415592 0.69 TDP1 (0.48) ALDH1A1MAPTLMNACYP1A2ALOX15
Isophthalic Acid SCHEMBL10938585 0.69 CA12 (0.44) MEN1KMT2AATMHPGD
Resorcinol SCHEMBL27879720 0.69 ALDH1A1 (0.57) ALDH1A1MEN1GMNNGABBR2LMNA
Phthalic Anhydride SCHEMBL11139492 0.69 TDP1 (0.67) L3MBTL1ALDH1A1MAPTMEN1LMNA
SCHEMBL8848157 0.68 ALDH1A1 (0.33) HDAC4HDAC2HDAC8ALDH1A1MAPT

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
US-20070125990-A1 Fire resistant sprayable coating composition SAFAS CORPORATION 2007-06-07 US claimed