SCHEMBL28436624

SCHEMBL28436624

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
THRB P10828 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.41
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
AKR1B1 P15121 1/20 0.32
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 7/20 0.31
PPARD Q03181 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
PTPN1 P18031 3/20 0.31
TLR2 O60603 2/20 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
SCHEMBL28436622 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL28213015 0.79 GPR84 (0.46) ALDH1A1MEN1KMT2AAKR1B1GPR84
SCHEMBL27625152 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL25995 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL31234108 0.73 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL2590837 0.72 FFAR3 (0.36) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL22487745 0.72 FFAR3 (0.30) FFAR3
SCHEMBL9495250 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL83753 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11305844 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB

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-111500552-A Polypeptides having lipase activity and polynucleotides encoding same 诺维信公司 2020-08-07 CN disclosed