SCHEMBL9705115

SCHEMBL9705115

NC(C(=O)O)N(CC(=O)O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
SLC15A1 P46059 1/20 0.40
CPA1 P15085 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 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
SCHEMBL10531428 0.85 CYP2C9 (0.42) MEN1KMT2ACYP1A2RAB9ACYP2D6
SCHEMBL5097300 0.81 CYP1A2 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29871382 0.81 KMT2A (0.45) MEN1KMT2ACYP1A2CPA1NPC1
SCHEMBL12869897 0.79 MEN1 (0.54) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL3599340 0.77 TDP1 (0.38) PTGS1SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL847206 0.76 LMNA (0.39) MEN1KMT2ACYP1A2CPA1NPC1
SCHEMBL24829559 0.75 ALDH1A1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20135418 0.75 KMT2A (0.46) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL20135421 0.75 KMT2A (0.46) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL9667288 0.74 CRHBP (0.42) MEN1KMT2ACYP1A2CPA1LMNA

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
WO-1992013965-A1 METHOD OF IMMOBILIZING AND CROSSLINKING PROTEINS AND OTHER MOLECULES AND USES THEREOF ANDERSON LESLIE DERIEMER (US) 1992-08-20 WO disclosed
WO-1989006980-A1 RADIOPHARMACEUTICALS UNIVERSITY OF QUEENSLAND (AU) 1989-08-10 WO disclosed
WO-1989006980-A1 RADIOPHARMACEUTICALS UNIVERSITY OF QUEENSLAND (AU) 1989-08-10 WO disclosed