SCHEMBL9251690

SCHEMBL9251690

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.41
ACLY P53396 1/20 0.41
TP53 P04637 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
SCHEMBL4951671 1.00 CPT2 (0.41) CPT2ACLYTP53CHRM1AKR1A1
Diethyl Maleate SCHEMBL31231863 0.82 HCAR2 (0.52) ALDH1A1THRB
SCHEMBL22202025 0.79 ALDH1A1 (0.33) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL11425472 0.79 ALDH1A1 (0.33) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL29714559 0.78 ALDH1A1 (0.38) CHRM1TDP1ALDH1A1CYP1A2TSHR
SCHEMBL3700078 0.77 ALDH1A1 (0.36) TP53MEN1ALDH1A1CYP1A2THRB
SCHEMBL2510899 0.77 ALDH1A1 (0.36) TP53MEN1ALDH1A1CYP1A2THRB
SCHEMBL11460744 0.75 LMNA (0.36) TP53CHRM1AKR1A1CHRM3HTR2A
SCHEMBL12528005 0.75 ACLY (0.58) CPT2ACLYCHRM1ADRA1ATDP1
SCHEMBL8170464 0.75 TP53 (0.35) TP53CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485598-B1 THERMOPLASTIC RESIN COMPOSITION SUMITOMO CHEMICAL CO (JP) 1995-04-12 EP disclosed
US-5300568-A Blend containing dinitrodiamine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US disclosed
US-5116906-A Molding materials SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-26 US disclosed
EP-0485598-A1 THERMOPLASTIC RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-05-20 EP disclosed