SCHEMBL29612349

SCHEMBL29612349

CC(C)(C)c1ccc(-c2cccc3c2C=CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KIF11 P52732 4/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.33
DGAT1 O75907 1/20 0.33
PARP1 P09874 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
PTAFR P25105 1/20 0.32
HTR1D P28221 1/20 0.32
ADRA1A P35348 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 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
SCHEMBL2706486 1.00 BRD4 (0.36) BRD4CREBBPKIF11NPC1RAB9A
SCHEMBL6649008 0.98 BRD4 (0.36) BRD4CREBBPKIF11NPC1RAB9A
SCHEMBL16394708 0.86 RXRA (0.36) KIF11NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL17386677 0.84 KIF11 (0.41) KIF11NPC1RAB9APTAFRALDH1A1
SCHEMBL6537096 0.82 PRCP (0.34)
SCHEMBL5348620 0.80 PRCP (0.38) ALDH1A1
SCHEMBL319986 0.79 PRCP (0.40) ALDH1A1
SCHEMBL15863965 0.78 HTR1A (0.39) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL27706015 0.78 ABL1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL28424140 0.78 PRCP (0.39) ALDH1A1

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-114761449-B Catalyst 博里利斯股份公司 2023-09-08 CN disclosed
CN-112154163-B Transition metal compound and method for preparing polypropylene using the same LG化学株式会社 2022-12-27 CN disclosed
CN-114761449-A Catalyst and process for producing the same 博里利斯股份公司 2022-07-15 CN disclosed
EP-2915824-B1 METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2022-05-25 EP disclosed