SCHEMBL8500952

SCHEMBL8500952

CCOC(=O)[C@H](C)N.[CH2]C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.38
METAP2 P50579 5/20 0.38
METAP1 P53582 4/20 0.38
CAD P27708 1/20 0.37
TRPA1 O75762 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL372610 0.95
SCHEMBL196408 0.95
SCHEMBL135308 0.95
Hydrochloric Acid SCHEMBL842523 0.92
Hydrochloric Acid SCHEMBL135307 0.92
Water SCHEMBL28328236 0.92
Bromide SCHEMBL5401279 0.92
Bromide SCHEMBL5401276 0.92
Hydrochloric Acid SCHEMBL135306 0.92
Hydrochloric Acid SCHEMBL5202071 0.90

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
EP-0938496-A1 HEPTAPEPTIDE OXYTOCIN ANALOGUES FERRING B.V. (NL) 1999-09-01 EP disclosed
WO-1998023636-A1 HEPTAPEPTIDE OXYTOCIN ANALOGUES FERRING B.V. (NL) 1998-06-04 WO disclosed