SCHEMBL9252633

SCHEMBL9252633

CCC(C)(C)c1cc(C(=O)O)c(O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CSNK2A1 P68400 1/20 0.41
GRM1 Q13255 1/20 0.41
MCL1 Q07820 4/20 0.39
HMGB1 P09429 1/20 0.38
CXCL12 P48061 1/20 0.38
MYC P01106 2/20 0.37
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KLKB1 P03952 2/20 0.36
CTSB P07858 2/20 0.36
MMP9 P14780 2/20 0.36
DNMT1 P26358 1/20 0.36
DNMT3B Q9UBC3 1/20 0.36
DNMT3L Q9UJW3 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
KAT8 Q9H7Z6 2/20 0.36

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
SCHEMBL28656729 0.87 TP53 (0.40) ALDH1A1CSNK2A1GRM1MCL1HMGB1
SCHEMBL30893080 0.87 TP53 (0.40) ALDH1A1CSNK2A1GRM1MCL1HMGB1
SCHEMBL11756896 0.86 CSNK2A1 (0.39) ALDH1A1CSNK2A1GRM1MCL1MYC
SCHEMBL9248053 0.85 ALDH1A1 (0.41) ALDH1A1CSNK2A1GRM1MCL1HMGB1
SCHEMBL9248058 0.83 KAT8 (0.43) ALDH1A1CSNK2A1GRM1KAT8PPARA
SCHEMBL11755301 0.83 CSNK2A1 (0.39) ALDH1A1CSNK2A1GRM1MCL1MYC
SCHEMBL9253188 0.82 ALDH1A1 (0.46) ALDH1A1CSNK2A1GRM1MCL1HMGB1
SCHEMBL28611519 0.80 ESR1 (0.41) ALDH1A1TP53CYP2D6CYP2C9ALOX15
SCHEMBL3434639 0.78 ESR1 (0.44) ALDH1A1TP53CYP2D6CYP2C9ALOX15
SCHEMBL9352375 0.78 ALOX15 (0.42) ALDH1A1TP53CYP2D6CYP2C9ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed
US-4134847-A HOMOGENIZING AN AROMATIC CARBOXYLIC ACID-POLYMER-METAL CARBONATE OR OXIDE MELT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-01-16 US disclosed
US-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US disclosed