SCHEMBL29299404

SCHEMBL29299404

CC(C)/C=C1\CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18198955 1.00 RAB9A (0.39) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL4827581 1.00 RAB9A (0.39) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL18198958 0.98 RAB9A (0.38) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL6902225 0.95 ALDH1A1 (0.41) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL1076577 0.95 ALDH1A1 (0.41) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL6387239 0.95 ALDH1A1 (0.41) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL10735746 0.78 MAPT (0.47) RAB9ANPC1MAPTSMN1; SMN2EGFR
SCHEMBL8650664 0.76 NPC1 (0.36) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL8650660 0.76 NPC1 (0.36) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL9512837 0.76 NPC1 (0.33) RAB9ANPC1MAPTSMN1; SMN2HPGD

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
US-20240229089-A1 A process for enzymatic synthesis of amides from amines and carboxylic acids or esters XP CHEMISTRIES AB (SE) 2024-07-11 US disclosed
US-20240229089-A1 A process for enzymatic synthesis of amides from amines and carboxylic acids or esters XP CHEMISTRIES AB (SE) 2024-07-11 US disclosed