SCHEMBL28115601

SCHEMBL28115601

CC(C)(CCC(=O)O)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LMNA P02545 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32

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
SCHEMBL7601706 0.78 HMGCR (0.42) ALDH1A1TSHRHIF1AFFAR1CPT2
SCHEMBL2821699 0.70
SCHEMBL11474310 0.69 ALDH1A1 (0.38) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL22028540 0.69 NAALAD2 (0.48) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL10577675 0.67 NAALAD2 (0.46) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL444933 0.67
SCHEMBL3545824 0.67
SCHEMBL16328134 0.67
SCHEMBL27656530 0.67
Succinic Acid SCHEMBL2453318 0.67 EGLN1 (0.50) ALDH1A1TSHRFFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349145-A Method for preparing intelligence-improving medicine (S)-oxiracetam 青岛云天生物技术有限公司 2017-01-25 CN disclosed