SCHEMBL3464968

SCHEMBL3464968

CC(C)c1ccc2c(c1)CCC(C(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
KARS1 Q15046 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RXRA P19793 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL10560019 0.93 CYP3A4 (0.39) CYP3A4KARS1MEN1KMT2ATSHR
SCHEMBL24402988 0.81 L3MBTL1 (0.44) CYP3A4KARS1MEN1KMT2ATSHR
SCHEMBL18430841 0.81 ALDH1A1 (0.39) CYP3A4OPRK1
SCHEMBL26298479 0.79 CYP3A4 (0.39) CYP3A4KARS1MEN1KMT2ATSHR
SCHEMBL12376492 0.79 CYP1A2 (0.46) CYP3A4KARS1MEN1KMT2ATSHR
SCHEMBL631170 0.79 OPRK1 (0.57) MEN1KMT2ACYP2D6MAPTLMNA
SCHEMBL13711473 0.77 CYP3A4 (0.50) CYP3A4KARS1MEN1KMT2ATSHR
SCHEMBL20884971 0.77 DRD2 (0.43) CYP3A4KARS1MEN1KMT2ATSHR
SCHEMBL20884058 0.77 DRD2 (0.54)
SCHEMBL6755630 0.77 DRD2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62292871-A None JP disclosed
EP-1103590-B1 Coating liquid for forming organic EL element SHARP KK (JP) 2010-10-20 EP disclosed
EP-1083775-B1 Composition comprising an organic electroluminescent material SEIKO EPSON CORP (JP) 2010-10-13 EP disclosed
US-6582504-B1 By a printing method, the liquid comprising: at least one organic solvent having a vapor pressure of 500 Pa or less at a temperature for forming the organic light emitting layer SHARP KABUSHIKI KAISHA (JP) 2003-06-24 US disclosed
EP-1103590-A2 Coating liquid for forming organic EL element SHARP KABUSHIKI KAISHA (JP) 2001-05-30 EP disclosed
US-4799068-A Thermal electrostatic ink-jet recording method and an ink therefor FUJI XEROX CO., LTD. (JP) 1989-01-17 US disclosed
US-4752784-A Thermal electrostatic ink-jet recording method FUJI XEROX CO., LTD. (JP) 1988-06-21 US disclosed
JP-S62292871-A RECORDING COMPOSITION FUJI XEROX CO LTD 1987-12-19 JP disclosed