SCHEMBL27430635

SCHEMBL27430635

Cc1ccc(C(=O)O)c(C(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.46
LDHB P07195 6/20 0.46
ALB P02768 3/20 0.42
HAAO P46952 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
NOTUM Q6P988 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13704512 0.88 LDHA (0.52) LDHALDHBALBALDH1A1FABP3
SCHEMBL5611630 0.86 LDHA (0.47) LDHALDHBALBHAAOALDH1A1
SCHEMBL1950385 0.81 CYP1A2 (0.50) LDHALDHBALBHAAOALDH1A1
SCHEMBL30410098 0.81 HAAO (0.39) LDHALDHBALBHAAOALDH1A1
SCHEMBL15123952 0.78 CYP1A2 (0.42) LDHALDHBALBHAAOALDH1A1
SCHEMBL605144 0.77 CYP1A2 (0.46) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL8879082 0.75 CYP1A2 (0.44) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL28199965 0.75 LDHA (0.56) LDHALDHBALBALDH1A1KDM4E
SCHEMBL195882 0.75 CYP1A2 (0.44) LDHALDHBHAAOALDH1A1CYP1A2
SCHEMBL8291097 0.74 ALDH1A1 (0.57) LDHALDHBALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460223-A Quinolones as Inducible Nitric Oxide Synthase Inhibitors KALYPSYS INC (US) 2009-06-17 CN disclosed
CN-1154709-C Poyurethane adhesive, method for use in bonding, and use of mixture Э���ͻ���ʽ���� 2004-06-23 CN disclosed
CN-1142200-C High impact polystyrene containing polyphenylene oxide �з��ﰺ�����ջ�ѧ�������ι�˾ 2004-03-17 CN disclosed
CN-1113073-C polyurethane and polyester polyol KYOWA YUKA KK (JP) 2003-07-02 CN disclosed
CN-1102945-C Polyester resin composition, cured resin, and coating material KYOWA YUKA KK (JP) 2003-03-12 CN disclosed
CN-1372572-A High impact polystyrene containing polyphenylene ether CHERVON CHEMICAL CO LLC (US) 2002-10-02 CN disclosed
CN-1087011-C Process for preparing 1, 5 -pentanediol derivative KYOWA YUKA KK (JP) 2002-07-03 CN disclosed
CN-1265697-A Poyurethane adhesive, method for use in bonding, and use of mixture KYOWA YUKA KK (JP) 2000-09-06 CN disclosed
CN-1250460-A Polyester resin composition, cured resin, and coating material KYOWA YUKA KK (JP) 2000-04-12 CN disclosed
CN-1220675-A Polyurethanes and polyester polyols KYOWA YUKA KK (JP) 1999-06-23 CN disclosed
CN-1174544-A Process for preparing 1, 5 -pentanediol derivative KYOWA YUKA KK (JP) 1998-02-25 CN disclosed