SCHEMBL28035943

SCHEMBL28035943

CCC(CC(CC)c1ccccc1C(=O)O)c1ccccc1C(=O)O.CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 4/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.39
EPHX2 P34913 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PLK3 Q9H4B4 3/20 0.38

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
Butylbenzyl SCHEMBL28035944 0.92 PLK1 (0.46) SMN1; SMN2PLK1KMT2AEPHX2ALDH1A1
SCHEMBL28036012 0.84 PRKCA (0.38) MCL1SMN1; SMN2POLBKMT2ANPC1
Isobutylbenzene SCHEMBL28035520 0.84 DHODH (0.42) POLBNPC1RAB9ATSHR
SCHEMBL28035522 0.84 POLB (0.43) MCL1SMN1; SMN2PLK1POLBKMT2A
SCHEMBL13951792 0.82 ALDH1A1 (0.50) SMN1; SMN2POLBKMT2AALDH1A1GAA
Isopropylbenzene SCHEMBL28035521 0.81 CRHBP (0.43) SMN1; SMN2POLBKMT2ANPC1RAB9A
SCHEMBL11204390 0.80 POLB (0.42) SMN1; SMN2POLBKMT2ARAB9AALDH1A1
SCHEMBL6876901 0.80 POLB (0.44) SMN1; SMN2POLBKMT2AALDH1A1GAA
SCHEMBL7617935 0.76 ALDH1A1 (0.46) SMN1; SMN2POLBKMT2AALDH1A1GAA
SCHEMBL433915 0.76 ALDH1A1 (0.52) PLK1POLBKMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed