SCHEMBL888201

SCHEMBL888201

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)OC(=O)CCNC(=O)[C@H](O)C(C)(C)CO.[CaH2]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
KCNH2 Q12809 1/20 0.61
VNN1 O95497 13/20 0.53
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2458620 1.00 PTGS1 (0.61) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL7016637 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL10774486 0.97 PTGS1 (0.61) PTGS1KCNH2VNN1PRSS1CTSG
Pantothenic Acid SCHEMBL27275742 0.94 PTGS1 (0.55) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL25177991 0.92 PTGS1 (0.56) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL11271120 0.92 PTGS1 (0.56) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL1261513 0.91 PTGS1 (0.55) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL22551153 0.91 PTGS1 (0.58) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL5939175 0.91 PTGS1 (0.58) PTGS1KCNH2VNN1PRSS1CTSG
SCHEMBL11750108 0.90 PTGS1 (0.61) PTGS1KCNH2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287061-A1 Dietary composition and method for promoting healthy hair growth and melanogenesis BEGGAN CATHY (US) 2011-11-24 US disclosed
WO-2011116480-A1 FOOD COMPOSITION COMPRISING GERMINATED SEEDS OR GRAINS NORMERICA INC. (CA) 2011-09-29 WO disclosed
EP-1720977-B1 L-GLUTAMIC ACID-PRODUCING MICROORGANISM AND A METHOD FOR PRODUCING L-GLUTAMIC ACID AJINOMOTO KK (JP) 2010-07-21 EP disclosed