SCHEMBL27595702

SCHEMBL27595702

C1=CCN2C=CC=CC2=C1.CCCCCCCCCCCC(=O)CCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NAAA Q02083 2/20 0.33
FAAH O00519 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
EPHX2 P34913 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCD O00767 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 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
Oxalic Acid SCHEMBL30288221 0.77
Hydrochloric Acid SCHEMBL29350580 0.74 KDM4E (0.31) ALDH1A1
SCHEMBL29564458 0.74
Maleic Acid SCHEMBL30353824 0.73 INMT (0.31)
SCHEMBL21044697 0.65 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23397936 0.65 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23530128 0.65 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23530133 0.65 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL21044715 0.65 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL21044703 0.65 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1485936-A Vertical cavity light-producing device with improved power conversion ��˹���´﹫˾ 2004-03-31 CN claimed
CN-1485936-A Vertical cavity light-producing device with improved power conversion ��˹���´﹫˾ 2004-03-31 CN disclosed