SCHEMBL8980149

SCHEMBL8980149

CCC(C(=O)OC(C)C)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.34
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
HCAR2 Q8TDS4 1/20 0.33
ALOX15 P16050 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 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
SCHEMBL8980120 0.87 TSHR (0.39) TSHRLMNAHCAR2ALOX15
SCHEMBL15015655 0.85 TSHR (0.37) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL28897693 0.84 TSHR (0.43) TSHRLMNAHCAR2ALOX15
SCHEMBL27985090 0.81 LMNA (0.42) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL4426492 0.81 CA1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15443233 0.80 TSHR (0.40) TSHRLMNAHCAR2ALOX15
SCHEMBL28418030 0.78 TSHR (0.39) TSHRLMNAHCAR2ALOX15
SCHEMBL6143133 0.78 TSHR (0.39) TSHRLMNAHCAR2ALOX15
SCHEMBL14186592 0.77 TDP1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14744488 0.77 TDP1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US claimed
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US disclosed
EP-0663382-A1 Process for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1995-07-19 EP disclosed