SCHEMBL28035522

SCHEMBL28035522

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
MCL1 Q07820 1/20 0.42
METAP2 P50579 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLK1 P53350 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 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
Butylbenzyl SCHEMBL28035951 0.91 PLK1 (0.47) KMT2AMETAP2SMN1; SMN2CYP1A2CYP2C9
SCHEMBL28035525 0.85 ALDH1A1 (0.44) POLBKMT2ANPC1CYP1A2MEN1
SCHEMBL28035943 0.84 MCL1 (0.41) POLBKMT2ANPC1RAB9AMCOLN3
Isobutylbenzene SCHEMBL28035953 0.83 DHODH (0.45) POLBKMT2ANPC1RAB9ACYP1A2
Isopropylbenzene SCHEMBL28035524 0.80 ALDH1A1 (0.46) KMT2ANPC1RAB9AMCL1SMN1; SMN2
Chlorobenzene SCHEMBL28035530 0.80 NR4A1 (0.45) KMT2ANPC1RAB9ACA12CA9
SCHEMBL6859419 0.79 KMT2A (0.47) POLBKMT2ANPC1RAB9ACA12
SCHEMBL7204826 0.79 NPC1 (0.51) POLBKMT2ANPC1RAB9ACYP1A2
SCHEMBL1904536 0.79 TSHR (0.57) POLBKMT2ACA12CA9SMN1; SMN2
SCHEMBL21961149 0.79 TSHR (0.57) POLBKMT2ACA12CA9SMN1; SMN2

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