SCHEMBL11516612

SCHEMBL11516612

CCCCOC(=O)[C@H](CC(C)C)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
BIRC2 Q13490 2/20 0.43
ALDH1A1 P00352 3/20 0.41
FOLH1 Q04609 1/20 0.40
PPID Q08752 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7605090 0.83 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2EPHX1ATM
SCHEMBL27647947 0.83 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2EPHX1ATM
SCHEMBL16298724 0.83 EPHX1 (0.46) PLA2G2APLA2G5TAS1R3TAS1R1BIRC2
SCHEMBL13519757 0.83 EPHX1 (0.46) PLA2G2APLA2G5TAS1R3TAS1R1BIRC2
SCHEMBL16116963 0.81 KMT2A (0.54) PLA2G2APLA2G5BIRC2MEN1KMT2A
SCHEMBL14116525 0.81 BIRC2 (0.45) PLA2G2APLA2G5TAS1R3TAS1R1BIRC2
SCHEMBL16549952 0.81 PLA2G10 (0.58) PLA2G2APLA2G5MEN1KMT2A
SCHEMBL14373742 0.81 ALDH1A1 (0.50) PLA2G2APLA2G5BIRC2ALDH1A1EPHX1
SCHEMBL11675839 0.81 ALDH1A1 (0.50) PLA2G2APLA2G5BIRC2ALDH1A1EPHX1
SCHEMBL11675841 0.81 ALDH1A1 (0.50) PLA2G2APLA2G5BIRC2ALDH1A1EPHX1

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-4159980-A Process for preparing the releasing hormone of luteinizing hormone (LH) and of follicle stimulating hormone (FSH), salts and compositions thereof, and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US disclosed
US-3947569-A Process for preparing the releasing hormone of luteinizing hormone (LH) and of follicle stimulating hormone (FSH), salts and compositions thereof, and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1976-03-30 US disclosed