SCHEMBL7848709

SCHEMBL7848709

CC(C)Cc1ccc([Mg]Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL1131597 0.80 PTGS1 (0.56) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL11071507 0.77 PTGS1 (0.42) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL5174938 0.77 PTGS1 (0.54) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL7850727 0.75 PNMT (0.43) HTR2ATSHRGABRA1GABRB2SLC6A2
Hydrogen Peroxide SCHEMBL9581174 0.75 PTGS1 (0.64) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL7851860 0.73 TAAR1 (0.48) LMNATSHRALDH1A1POLB
SCHEMBL764989 0.73 SLC6A2 (0.67) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL1446710 0.73 FAAH (0.52) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL8120565 0.72 PTGS1 (0.50) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL8636154 0.72 MEN1 (0.53) FAAHPTGS1PTGS2LMNACYP2C9

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