SCHEMBL2748936

SCHEMBL2748936

O=C(N[C@H](C(=O)O)C(Cc1ccccc1)C(=O)O)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.60
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
CYP1A2 P05177 2/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PSMB5 P28074 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
SRR Q9GZT4 1/20 0.41
FAAH O00519 1/20 0.40
MME P08473 1/20 0.40

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
SCHEMBL2747548 0.86 MEN1 (0.50) SLC1A3NPC1RAB9A
SCHEMBL7701531 0.82 CTRB1 (0.59) MME
SCHEMBL6850692 0.82 CTRB1 (0.59) MME
SCHEMBL1232536 0.81 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CYP1A2NPC1
SCHEMBL5259390 0.80 MME (0.56) SLC1A3ITGB1ITGA4ITGB7MME
SCHEMBL1833280 0.80 MME (0.56) SLC1A3ITGB1ITGA4ITGB7MME
SCHEMBL9439279 0.80 ATM (0.57) PPARGPPARA
SCHEMBL7346811 0.80 ATM (0.57) PPARGPPARA
SCHEMBL7407045 0.80 ATM (0.57) PPARGPPARA
SCHEMBL7316279 0.80 ATM (0.57) PPARGPPARA

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-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed