SCHEMBL28176754

SCHEMBL28176754

CC(C)OC(=O)C1(C(=O)OC(C)C)CC=CC=C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
CXCR5 P32302 1/20 0.32
TP53 P04637 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL28172298 0.84 MEN1 (0.39) MAPTTSHRMEN1KMT2ACYP1A2
SCHEMBL27675281 0.84 PDCD1 (0.39) PDCD1CD274MAPTTSHRNPSR1
SCHEMBL28737049 0.81 SMN1; SMN2 (0.47) NPSR1SMN1; SMN2
SCHEMBL9861595 0.79 SMN1; SMN2 (0.35) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL505430 0.79 AKR1C1 (0.35) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7565168 0.77 CYP3A4 (0.40) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL27599522 0.77 AKR1C1 (0.34) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9858334 0.76 TSHR (0.36) MAPTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9052363 0.75 KMO (0.36) MAPTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9780734 0.71 CYP1A2 (0.40) PDCD1CD274MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566532-B A kind of catalyst component for olefin, preparation method and its catalyst 中国石油化工股份有限公司 2017-09-29 CN claimed