SCHEMBL7847962

SCHEMBL7847962

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
AOC3 Q16853 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 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
SCHEMBL7849452 0.80 HDAC4 (0.47) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL1006801 0.80 HDAC4 (0.62) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL7839786 0.76 ALDH1A1 (0.41) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL26239181 0.75 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL22926647 0.75 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL199109 0.75 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL25819608 0.75 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL7778471 0.74 HDAC4 (0.56) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL198138 0.74 HDAC4 (0.56) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL2092611 0.72 HDAC4 (0.55) HDAC4HDAC2HDAC8ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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