SCHEMBL28580802

SCHEMBL28580802

CCCCCCCC/C=C\CCCCCCC(N)(CCCC)C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
SOAT1 P35610 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL28810178 0.91 NAAA (0.44) MEN1KMT2AMAPTALDH1A1
SCHEMBL29163438 0.89 NAAA (0.46) MEN1KMT2AMAPTALDH1A1
SCHEMBL29013144 0.89 ALDH1A1 (0.45) CYP1A2CYP2C19MEN1CYP3A4KMT2A
SCHEMBL28214310 0.88 NAAA (0.48) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL27043106 0.88 NAAA (0.48) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL29163403 0.86 NAAA (0.50) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL29263999 0.86 NAAA (0.50) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL28387622 0.86 NAAA (0.50) FAAHMAPTALDH1A1LMNANPSR1
SCHEMBL29263998 0.86 NAAA (0.50) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL28563080 0.86 NAAA (0.50) FAAHMEN1KMT2AMAPTALDH1A1

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-112996826-A Two-component block copolymers 戴纳索尔伊莱斯托米罗斯公司 2021-06-18 CN disclosed