SCHEMBL7756459

SCHEMBL7756459

CC(C)c1ccc2c(c1)C=C(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
EIF4A3 P38919 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7755705 0.76 CA12 (0.42) RXRARXRBRXRGCYP2C19CCR5
SCHEMBL15714390 0.73 PTGS1 (0.43) CYP2C19LMNA
SCHEMBL11469466 0.73 MT-CO2 (0.36) KARS1RXRARXRBRXRGCCNE1
SCHEMBL5209485 0.72 BCL2L1 (0.44) CYP3A4CCR5
SCHEMBL7755475 0.71 TBXAS1 (0.33) CCR5
SCHEMBL983738 0.71 MAOA (0.49) LMNA
SCHEMBL13366367 0.70 ALOX5 (0.44) RXRARXRBRXRGEIF4A3MEN1
SCHEMBL27322660 0.69 TBXAS1 (0.39) CYP3A4MAPK1LMNATDP1
SCHEMBL26080873 0.69 IDO1 (0.41) MEN1KMT2ACYP2C19LMNACCR5
Trimethylammonium SCHEMBL10874742 0.69 MAOA (0.44) MEN1KMT2ALMNACCR5TDP1

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-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 CN disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed