SCHEMBL6904305

SCHEMBL6904305

CC(O)Cc1ccc(C(=O)O)c(C(=O)O)c1CC(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
LMNA P02545 3/20 0.31
ADRB3 P13945 3/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX5 P09917 1/20 0.31
RARB P10826 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2A P28223 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
SCHEMBL6834122 0.87 ALDH1A1 (0.34) ALDH1A1CYP1A2MAPTHDAC8AKR1C2
SCHEMBL77326 0.85 LMNA (0.39) ALDH1A1MAPTAKR1C2AKR1C1PTGS1
SCHEMBL27494885 0.83 LMNA (0.39) ALDH1A1MAPTAKR1C2AKR1C1PTGS1
SCHEMBL1446820 0.82 ALOX15 (0.36) ALDH1A1CYP1A2AKR1C2AKR1C1PTGS1
SCHEMBL28650347 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1446930 0.81 MAPT (0.36) ALDH1A1CYP1A2MAPTAKR1C2AKR1C1
SCHEMBL722686 0.80 LMNA (0.38) ALDH1A1MAPTAKR1C2AKR1C1PTGS1
SCHEMBL6902769 0.80 CYP1A2 (0.42) ALDH1A1CYP1A2MAPTHDAC8AKR1C2
Phthalic Acid SCHEMBL31462355 0.80 ALDH1A1 (0.44) ALDH1A1MAPTHDAC8LMNAADRB3
SCHEMBL7933312 0.80 ALOX15 (0.34) ALDH1A1CYP1A2AKR1C2AKR1C1KDM4E

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-6830804-B2 Reacting an acid-terminated unsaturated polyetherester resin with an aromatic polyol; nonblistering fiber-reinforced polymers COOK COMPOSITES AND POLYMERS CO. 2004-12-14 US disclosed
US-20020055597-A1 Aromatic polyol end-capped unsaturated polyetherester resins and resin compositions containing the same having improved chemical and/or water resistance HSU CHIH-PIN (US) 2002-05-09 US disclosed
US-6211305-B1 CURABLE THERMOSETTING RESIN COOK COMPOSITES AND POLYMERS CO. 2001-04-03 US disclosed