SCHEMBL9655862

SCHEMBL9655862

CC(C)(CCC(=O)O)CC(CC(C)(C)CCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM3 Q14832 1/20 0.35

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
SCHEMBL2910889 0.80 NAALAD2 (0.41) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL11529406 0.78 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
Hydrochloric Acid SCHEMBL31279551 0.76 NAALAD2 (0.48) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL13345889 0.75 CYP1A2 (0.43) FOLH1NAALAD2CYP1A2ALDH1A1MEN1
SCHEMBL13168811 0.74 NAALAD2 (0.46) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL7879260 0.73 CHRM1 (0.46) FOLH1ALDH1A1MEN1KMT2ATDP1
SCHEMBL28235302 0.72 NAALAD2 (0.45) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL1572939 0.72 ALDH1A1 (0.52) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL2203104 0.72 FFAR1 (0.65) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL758701 0.72 NAALAD2 (0.45) NAALAD2CYP1A2ALDH1A1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240212-B1 PREPARATION OF HIGHLY PURE ALPHA-METHYLSTYRENE POLYMER THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
US-4748222-A Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1988-05-31 US disclosed
EP-0240212-A2 Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1987-10-07 EP disclosed
EP-0058217-B1 A PROCESS FOR PRODUCING A RANDOM COPOLYMER AND RANDOM COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1987-05-06 EP disclosed
EP-0058217-A1 A process for producing a random copolymer and random copolymer PHILLIPS PETROLEUM COMPANY (US) 1982-08-25 EP disclosed
US-4277591-A ORGANOLITHIUM INITIATOR AND AN ORGANIC COMPOUND OF SODIUM, POTASSIUM, RUBIDIUM, OR CESIUM PHILLIPS PETROLEUM COMPANY (US) 1981-07-07 US disclosed