SCHEMBL7849448

SCHEMBL7849448

CC(C)(C)c1cccc([Mg]Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
KIF11 P52732 3/20 0.41
ACHE P22303 3/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL40035 0.78 TSHR (0.48) ALDH1A1TDP1GAAMAPT
SCHEMBL664647 0.78 HDAC8 (0.42) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL3162653 0.77 GABRA1 (0.46) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL129151 0.75 HDAC8 (0.56) HDAC8HDAC4HDAC2KIF11ACHE
Bromide SCHEMBL7971154 0.74 HDAC8 (0.39) HDAC8HDAC4HDAC2KIF11ACHE
Water SCHEMBL29289408 0.73 HDAC8 (0.54) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL1897181 0.72 TSHR (0.48) KIF11ACHEALDH1A1HPGDALOX15
SCHEMBL7203013 0.70 HDAC8 (0.47) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL78619 0.70 HDAC4 (0.47) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL29441583 0.70 HDAC4 (0.47) HDAC8HDAC4HDAC2KIF11ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108285409-B Method for synthesizing tert-butoxy substituted styrene and derivatives thereof 徐州博康信息化学品有限公司 2022-03-15 CN disclosed
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed