SCHEMBL7125438

SCHEMBL7125438

CCOC(=O)c1cnc2c(c1O)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 4/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL11390757 0.84 NPC1 (0.47) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL11390761 0.84 NPC1 (0.47) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9693584 0.82 ACHE (0.47) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL11385771 0.82 PDE4B (0.39) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL11385772 0.82 PDE4B (0.39) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL2288150 0.80 KDM4E (0.48) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL11309257 0.79 TDP1 (0.35) CYP1A2CYP2C9KDM4EALDH1A1HSD17B10
SCHEMBL9687353 0.78 ACHE (0.48) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9686653 0.78 ACHE (0.48) CYP1A2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9686907 0.78 ACHE (0.48) CYP1A2KDM4EALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4273932-A 4-Hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acids and derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-06-16 US claimed
JP-55120566-A None JP disclosed
US-20030219427-A1 TPL-2/COT kinase and methods of use MEDICAL RESEARCH COUNCIL (GB) 2003-11-27 US disclosed
US-20020099169-A1 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLCHAFT 2002-07-25 US disclosed
EP-1105501-A2 TPL-2/COT KINASE AND METHODS OF USE BASF Aktiengesellschaft (US) 2001-06-13 EP disclosed
WO-2000011191-A2 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLSCHAFT (US) 2000-03-02 WO disclosed
US-4296112-A ANTIBACTERIAL MITSUI TOATSU CHEMICALS, INC. (JP) 1981-10-20 US disclosed
US-4283398-A Cephalosporins MITSUI TOATSU CHEMICALS, INC. (JP) 1981-08-11 US disclosed
US-4273932-A 4-Hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acids and derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-06-16 US disclosed
US-4263302-A ANTIBIOTICS EFFECTIVE AGAINST PSEUDOMONAS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-04-21 US disclosed
US-4246270-A TRANQUILIZERS, MUSCLE RELAXANTS, AND SEDATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-20 US disclosed
JP-S55120566-A NEW QUINOLINE DERIVATIVE MITSUI TOATSU CHEM INC 1980-09-17 JP disclosed
US-4120856-A REACTING 3-HYDROXY-BENZODIAZEPINES WITH AMINOSULFUR TRIFLUORIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-17 US disclosed